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CAS 1030620-57-5 1′,3′-Dimethyl-1’H,2H-3,4′-bipyrazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1030620-57-5

1′,3′-Dimethyl-1’H,2H-3,4′-bipyrazole-5-carboxylic acid

  • Product code: SSC-004509
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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 1030620-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1030620-57-5 / 3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

1',3'-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylic acid | 1',3'-Dimethyl-2H,1'H-[3,4']bipyrazolyl-5-carboxylic acid | MFCD04969774

Standard CAS: 1030620-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1030620-57-5
Multi CAS
No
Molecular Formula
C9H10N4O2
Molecular Weight
206.200000
Exact Mass
206.080376
SMILES
CC1=NN(C=C1C2=NNC(=C2)C(=O)O)C
InChI
InChI=1S/C9H10N4O2/c1-5-6(4-13(2)12-5)7-3-8(9(14)15)11-10-7/h3-4H,1-2H3,(H,10,11)(H,14,15)
InChIKey
YVDRJBGUCMZMDC-UHFFFAOYSA-N
Synonyms
1',3'-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylic acid 1',3'-Dimethyl-2H,1'H-[3,4']bipyrazolyl-5-carboxylic acid MFCD04969774 3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid 1',3'-Dimethyl-1'H,2H-[3,4'-bipyrazole]-5-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.49
TPSA
83.8

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.4

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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