N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

C24H28F2N4O — CID 45482300

IUPACN-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C
InChIInChI=1S/C24H28F2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
InChIKeyIHWKJXQSHWGFEW-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.32
Rot. Bonds4

About N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 45482300) has the molecular formula C24H28F2N4O and a molecular weight of 426.51 g/mol. Its IUPAC name is N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
PubChem CID45482300
Molecular FormulaC24H28F2N4O
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C
InChIInChI=1S/C24H28F2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
InChIKeyIHWKJXQSHWGFEW-UHFFFAOYSA-N
XLogP5.32
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768470
N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768476
N-cyclohexyl-1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768480
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768482
N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768483
N-cyclohexyl-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 24768487
N-Cycloheptyl-1-(2,4-dichlorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482145
N-Cyclopentyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 45482275
N-Cycloheptyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 45482276
N-Cycloheptyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482290
N-Cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482293
N-Cycloheptyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482298

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (CID 45482300) is N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C.
What is the InChIKey of N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is IHWKJXQSHWGFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31).
What are the key properties of N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 45482300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).