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

C10H10N4O2 — CID 107344308

IUPAC4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
SMILESNc1cn(Cc2cccnc2)nc1C(=O)O
InChIInChI=1S/C10H10N4O2/c11-8-6-14(13-9(8)10(15)16)5-7-2-1-3-12-4-7/h1-4,6H,5,11H2,(H,15,16)
InChIKeyBSWXRYFSZOUAHQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.61
Rot. Bonds3

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

4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 107344308) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID107344308
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
SMILESNc1cn(Cc2cccnc2)nc1C(=O)O
InChIInChI=1S/C10H10N4O2/c11-8-6-14(13-9(8)10(15)16)5-7-2-1-3-12-4-7/h1-4,6H,5,11H2,(H,15,16)
InChIKeyBSWXRYFSZOUAHQ-UHFFFAOYSA-N
XLogP0.61
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
CID 107344350
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 154466763
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 65357815
4-amino-1-[(3-cyano-4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 107880942
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 65363090
4-amino-1-[(5-bromo-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 107345465
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
5-tert-butyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 55031458
3-(pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 83638287

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid (CID 107344308) is 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid is Nc1cn(Cc2cccnc2)nc1C(=O)O.
What is the InChIKey of 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is BSWXRYFSZOUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-8-6-14(13-9(8)10(15)16)5-7-2-1-3-12-4-7/h1-4,6H,5,11H2,(H,15,16).
What are the key properties of 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid?
4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).