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CAS 1001500-15-7 4-AMINO-2-METHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID (FURAN-2-YLMETHYL)-AMIDE molecular structure lightbox
CAS RN: 1001500-15-7

4-AMINO-2-METHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID (FURAN-2-YLMETHYL)-AMIDE

  • Product code: SSC-000549
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1001500-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1001500-15-7 / 4-amino-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide | 4-amino-N-(2-furylmethyl)-1-methyl-1H-pyrazole-5-carboxamide | MFCD04969189

Standard CAS: 1001500-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001500-15-7
Multi CAS
No
Molecular Formula
C10H12N4O2
Molecular Weight
220.230000
Exact Mass
220.096026
SMILES
CN1C(=C(C=N1)N)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C10H12N4O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h2-4,6H,5,11H2,1H3,(H,12,15)
InChIKey
YGKNAAQUXZMNKO-UHFFFAOYSA-N
Synonyms
4-amino-N-(furan-2-ylmethyl)-1-methyl-1H-pyrazole-5-carboxamide 4-amino-N-(2-furylmethyl)-1-methyl-1H-pyrazole-5-carboxamide MFCD04969189 4-amino-N-(furan-2-ylmethyl)-2-methylpyrazole-3-carboxamide 4-amino-N-[(furan-2-yl)methyl]-1-methyl-1H-pyrazole-5-carboxamide

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.5
TPSA
86.08

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.3
Consensus LogP
0.43
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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