5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid

C10H9N3O2 — CID 83532093

IUPAC5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C10H9N3O2/c1-6-8(10(14)15)9(13-12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyRULQLNSBLQCHLE-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.48
Rot. Bonds2

About 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid

5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid (PubChem CID 83532093) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
PubChem CID83532093
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C10H9N3O2/c1-6-8(10(14)15)9(13-12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyRULQLNSBLQCHLE-UHFFFAOYSA-N
XLogP1.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
1-benzyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 542800
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
2-[(2E)-2-(1-Pyridin-4-ylethylidene)hydrazinyl]benzoic acid
CID 9613363
5-methyl-4-[(3-pyridin-4-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71455285
5-methyl-4-[(3-pyridin-3-ylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 71458925
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
ethyl 3-methyl-5-[2-(3-pyridinylmethylene)hydrazino]-1H-pyrazole-4-carboxylate
CID 9580314
1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 20855127
3-(pyridin-3-yl)-1H-pyrazole-5-carboxylic acid
CID 3159715

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid (CID 83532093) is 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(-c2ccncc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
The InChIKey is RULQLNSBLQCHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-8(10(14)15)9(13-12-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 83532093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).