2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid

C11H10N4O3 — CID 19500075

IUPAC2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)Nc2ccncc2)n1
InChIInChI=1S/C11H10N4O3/c16-10(17)7-15-6-3-9(14-15)11(18)13-8-1-4-12-5-2-8/h1-6H,7H2,(H,16,17)(H,12,13,18)
InChIKeyJHBGMZAGTMORKF-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.62
Rot. Bonds4

About 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid

2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19500075) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19500075
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)Nc2ccncc2)n1
InChIInChI=1S/C11H10N4O3/c16-10(17)7-15-6-3-9(14-15)11(18)13-8-1-4-12-5-2-8/h1-6H,7H2,(H,16,17)(H,12,13,18)
InChIKeyJHBGMZAGTMORKF-UHFFFAOYSA-N
XLogP0.62
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501958
2-[3-[(3,4-difluorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500090
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
2-(3-pyridin-4-ylpyrazol-1-yl)acetic acid
CID 121211807
1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19274382
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623378
2-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500135
2-(3-methylpyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 19516801
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19500075) is 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)Nc2ccncc2)n1.
What is the InChIKey of 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is JHBGMZAGTMORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-10(17)7-15-6-3-9(14-15)11(18)13-8-1-4-12-5-2-8/h1-6H,7H2,(H,16,17)(H,12,13,18).
What are the key properties of 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 246.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).