N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C19H25N3O — CID 9268507

IUPACN-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H25N3O/c1-14-18(19(23)20-16-10-6-3-4-7-11-16)15(2)22(21-14)17-12-8-5-9-13-17/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3,(H,20,23)
InChIKeyGUXCJVLCBSKRCZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.94
Rot. Bonds3

About N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 9268507) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID9268507
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H25N3O/c1-14-18(19(23)20-16-10-6-3-4-7-11-16)15(2)22(21-14)17-12-8-5-9-13-17/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3,(H,20,23)
InChIKeyGUXCJVLCBSKRCZ-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 46566455
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557147
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 41410768
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 8590207
1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide
CID 60520229
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-(4-cyclopentyloxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 46570793
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 9268507) is N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is GUXCJVLCBSKRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-18(19(23)20-16-10-6-3-4-7-11-16)15(2)22(21-14)17-12-8-5-9-13-17/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9268507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).