2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

C15H15N3O3 — CID 120977154

IUPAC2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(12-6-7-13(12)15(20)21)17-10-2-4-11(5-3-10)18-9-1-8-16-18/h1-5,8-9,12-13H,6-7H2,(H,17,19)(H,20,21)
InChIKeyQHHDPRBRWZFPSQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.92
Rot. Bonds4

About 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977154) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977154
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(12-6-7-13(12)15(20)21)17-10-2-4-11(5-3-10)18-9-1-8-16-18/h1-5,8-9,12-13H,6-7H2,(H,17,19)(H,20,21)
InChIKeyQHHDPRBRWZFPSQ-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839
1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea
CID 84595112
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27516821

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120977154) is 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is QHHDPRBRWZFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(12-6-7-13(12)15(20)21)17-10-2-4-11(5-3-10)18-9-1-8-16-18/h1-5,8-9,12-13H,6-7H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).