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

C23H26F2N4O — CID 24768483

IUPACN-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C
InChIInChI=1S/C23H26F2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
InChIKeyNSIUHJISNBBAGE-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.93
Rot. Bonds4

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

N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 24768483) has the molecular formula C23H26F2N4O and a molecular weight of 412.48 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
PubChem CID24768483
Molecular FormulaC23H26F2N4O
Molecular Weight412.48 g/mol
Exact Mass412.21
IUPAC NameN-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C
InChIInChI=1S/C23H26F2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
InChIKeyNSIUHJISNBBAGE-UHFFFAOYSA-N
XLogP4.93
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (CID 24768483) is N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1c(C)ccc1C.
What is the InChIKey of N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is NSIUHJISNBBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30).
What are the key properties of N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24768483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).