1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid

C16H17ClN4O3 — CID 122078984

IUPAC1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1
InChIInChI=1S/C16H17ClN4O3/c17-13-10-12(2-3-14(13)21-7-1-6-18-21)19-16(24)20-8-4-11(5-9-20)15(22)23/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,24)(H,22,23)
InChIKeyWOZOWMBUXUILHO-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.85
Rot. Bonds3

About 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122078984) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122078984
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1
InChIInChI=1S/C16H17ClN4O3/c17-13-10-12(2-3-14(13)21-7-1-6-18-21)19-16(24)20-8-4-11(5-9-20)15(22)23/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,24)(H,22,23)
InChIKeyWOZOWMBUXUILHO-UHFFFAOYSA-N
XLogP2.85
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide
CID 126792095
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596
3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119771619
4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 126774893
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[[4-(2-chlorophenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078037
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122078984) is 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is WOZOWMBUXUILHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-13-10-12(2-3-14(13)21-7-1-6-18-21)19-16(24)20-8-4-11(5-9-20)15(22)23/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,24)(H,22,23).
What are the key properties of 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 348.79 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122078984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).