2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid

C17H21N3O3 — CID 19482443

IUPAC2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccnn2CC(=O)O)cc1
InChIInChI=1S/C17H21N3O3/c1-11(2)13-4-6-14(7-5-13)12(3)19-17(23)15-8-9-18-20(15)10-16(21)22/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyBOLLAIVHUJDFCC-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.58
Rot. Bonds6

About 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid

2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19482443) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19482443
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccnn2CC(=O)O)cc1
InChIInChI=1S/C17H21N3O3/c1-11(2)13-4-6-14(7-5-13)12(3)19-17(23)15-8-9-18-20(15)10-16(21)22/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyBOLLAIVHUJDFCC-UHFFFAOYSA-N
XLogP2.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482442
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482640
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19485587
3-[5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491787
2-[5-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482446
3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491892
N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851024
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482723
2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 146084407

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19482443) is 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid is CC(C)c1ccc(C(C)NC(=O)c2ccnn2CC(=O)O)cc1.
What is the InChIKey of 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is BOLLAIVHUJDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)13-4-6-14(7-5-13)12(3)19-17(23)15-8-9-18-20(15)10-16(21)22/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).