2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C10H10N4O2 — CID 84785993

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESNCc1cnn(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C10H10N4O2/c11-4-7-5-13-14(6-7)9-8(10(15)16)2-1-3-12-9/h1-3,5-6H,4,11H2,(H,15,16)
InChIKeyXKTIOCNHNMKUFJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.42
Rot. Bonds3

About 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 84785993) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID84785993
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESNCc1cnn(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C10H10N4O2/c11-4-7-5-13-14(6-7)9-8(10(15)16)2-1-3-12-9/h1-3,5-6H,4,11H2,(H,15,16)
InChIKeyXKTIOCNHNMKUFJ-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
[1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82504471
[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82507728
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(4-ethylpyrazol-1-yl)pyridin-3-amine
CID 84770779
6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
CID 110121762
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide
CID 60872533
2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid
CID 155409406
[2-(4-methylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 60871926
2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
CID 61177578

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 84785993) is 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is NCc1cnn(-c2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is XKTIOCNHNMKUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-4-7-5-13-14(6-7)9-8(10(15)16)2-1-3-12-9/h1-3,5-6H,4,11H2,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 84785993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).