N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide

C21H26F2N4O — CID 162648130

IUPACN-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C21H26F2N4O/c22-16-6-7-20(19(23)12-16)27-14-15(13-24-27)21(28)25-17-8-10-26(11-9-17)18-4-2-1-3-5-18/h6-7,12-14,17-18H,1-5,8-11H2,(H,25,28)
InChIKeyBIQOJTRPLHCSNS-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.68
Rot. Bonds4

About N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide

N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide (PubChem CID 162648130) has the molecular formula C21H26F2N4O and a molecular weight of 388.46 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide
PubChem CID162648130
Molecular FormulaC21H26F2N4O
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C21H26F2N4O/c22-16-6-7-20(19(23)12-16)27-14-15(13-24-27)21(28)25-17-8-10-26(11-9-17)18-4-2-1-3-5-18/h6-7,12-14,17-18H,1-5,8-11H2,(H,25,28)
InChIKeyBIQOJTRPLHCSNS-UHFFFAOYSA-N
XLogP3.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330
N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850353
N-(3,5-difluorophenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850668
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 831887
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 33950497
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 134218714

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide (CID 162648130) is N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide is O=C(NC1CCN(C2CCCCC2)CC1)c1cnn(-c2ccc(F)cc2F)c1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide?
The InChIKey is BIQOJTRPLHCSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O/c22-16-6-7-20(19(23)12-16)27-14-15(13-24-27)21(28)25-17-8-10-26(11-9-17)18-4-2-1-3-5-18/h6-7,12-14,17-18H,1-5,8-11H2,(H,25,28).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide?
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162648130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).