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

C17H20ClN3O2 — CID 75361341

IUPAC1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c18-16-4-2-1-3-12(16)10-21-11-13(9-19-21)17(23)20-14-5-7-15(22)8-6-14/h1-4,9,11,14-15,22H,5-8,10H2,(H,20,23)
InChIKeyLFNZVYROMVVJPC-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.62
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide (PubChem CID 75361341) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
PubChem CID75361341
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H20ClN3O2/c18-16-4-2-1-3-12(16)10-21-11-13(9-19-21)17(23)20-14-5-7-15(22)8-6-14/h1-4,9,11,14-15,22H,5-8,10H2,(H,20,23)
InChIKeyLFNZVYROMVVJPC-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 51272859
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
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
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
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
[2-(cycloheptylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494892

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide (CID 75361341) is 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide is O=C(NC1CCC(O)CC1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
The InChIKey is LFNZVYROMVVJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-16-4-2-1-3-12(16)10-21-11-13(9-19-21)17(23)20-14-5-7-15(22)8-6-14/h1-4,9,11,14-15,22H,5-8,10H2,(H,20,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75361341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).