5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide

C18H21Cl2N3O — CID 29200902

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCCC1
InChIInChI=1S/C18H21Cl2N3O/c1-12-16(18(24)21-14-8-3-2-4-9-14)17(20)23(22-12)11-13-7-5-6-10-15(13)19/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,21,24)
InChIKeyVEWLRQRVVAUACX-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.61
Rot. Bonds4

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide (PubChem CID 29200902) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
PubChem CID29200902
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCCC1
InChIInChI=1S/C18H21Cl2N3O/c1-12-16(18(24)21-14-8-3-2-4-9-14)17(20)23(22-12)11-13-7-5-6-10-15(13)19/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,21,24)
InChIKeyVEWLRQRVVAUACX-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 24658636
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 30768138
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
CID 35768956
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 56555534
5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide
CID 55584290
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide (CID 29200902) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCCC1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide?
The InChIKey is VEWLRQRVVAUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-12-16(18(24)21-14-8-3-2-4-9-14)17(20)23(22-12)11-13-7-5-6-10-15(13)19/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,21,24).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 29200902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).