1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide

C16H18ClN3O — CID 25392689

IUPAC1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3O/c17-15-8-4-1-5-12(15)10-20-11-13(9-18-20)16(21)19-14-6-2-3-7-14/h1,4-5,8-9,11,14H,2-3,6-7,10H2,(H,19,21)
InChIKeyQZGYADLPIIPNBE-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.26
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide (PubChem CID 25392689) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
PubChem CID25392689
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3O/c17-15-8-4-1-5-12(15)10-20-11-13(9-18-20)16(21)19-14-6-2-3-7-14/h1,4-5,8-9,11,14H,2-3,6-7,10H2,(H,19,21)
InChIKeyQZGYADLPIIPNBE-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 51272859
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
[2-(cycloheptylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494892
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 16613492
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 18132090
1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120553896
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
1-[(2-chlorophenyl)methyl]-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 18132255

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide (CID 25392689) is 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide is O=C(NC1CCCC1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide?
The InChIKey is QZGYADLPIIPNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-15-8-4-1-5-12(15)10-20-11-13(9-18-20)16(21)19-14-6-2-3-7-14/h1,4-5,8-9,11,14H,2-3,6-7,10H2,(H,19,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide is sourced from PubChem (CID 25392689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).