2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid

C8H11N3O3 — CID 19482640

IUPAC2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCCNC(=O)c1ccnn1CC(=O)O
InChIInChI=1S/C8H11N3O3/c1-2-9-8(14)6-3-4-10-11(6)5-7(12)13/h3-4H,2,5H2,1H3,(H,9,14)(H,12,13)
InChIKeyNHKFNZUGAIKABJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.28
Rot. Bonds4

About 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid

2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19482640) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19482640
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCCNC(=O)c1ccnn1CC(=O)O
InChIInChI=1S/C8H11N3O3/c1-2-9-8(14)6-3-4-10-11(6)5-7(12)13/h3-4H,2,5H2,1H3,(H,9,14)(H,12,13)
InChIKeyNHKFNZUGAIKABJ-UHFFFAOYSA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482452
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482723
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482652
2-[5-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482442
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482443
2-[5-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482601
2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19470917
2-[5-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482587
2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
2-[5-(2-adamantylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482430
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19482640) is 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid is CCNC(=O)c1ccnn1CC(=O)O.
What is the InChIKey of 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is NHKFNZUGAIKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-9-8(14)6-3-4-10-11(6)5-7(12)13/h3-4H,2,5H2,1H3,(H,9,14)(H,12,13).
What are the key properties of 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).