1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid

C10H9N3O2 — CID 43565330

IUPAC1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cccnc2)c1
InChIInChI=1S/C10H9N3O2/c14-10(15)9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6H2,(H,14,15)
InChIKeyWCMWZVWZYCRAIW-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.02
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid

1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid (PubChem CID 43565330) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
PubChem CID43565330
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2cccnc2)c1
InChIInChI=1S/C10H9N3O2/c14-10(15)9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6H2,(H,14,15)
InChIKeyWCMWZVWZYCRAIW-UHFFFAOYSA-N
XLogP1.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 154466763
1-[(4-iodophenyl)methyl]pyrazole-4-carboxylic acid
CID 65477016
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
CID 107344308
3-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 167777500
1-benzylpyrazole-4-carbohydrazide
CID 83386286
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105082099
1-[[3,5-dimethyl-4-(pyridin-2-ylmethyl)phenyl]methyl]pyrazole-4-carboxylic acid
CID 171090685
(E)-4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-enoic acid
CID 60949229

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid (CID 43565330) is 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2cccnc2)c1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid?
The InChIKey is WCMWZVWZYCRAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid?
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).