N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C21H26N4O2 — CID 78807034

IUPACN-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H26N4O2/c26-20-7-4-14-24(20)15-16-8-10-17(11-9-16)21(27)23-19-12-13-22-25(19)18-5-2-1-3-6-18/h8-13,18H,1-7,14-15H2,(H,23,27)
InChIKeyJPKLOQSIADPWSY-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.76
Rot. Bonds5

About N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 78807034) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID78807034
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C21H26N4O2/c26-20-7-4-14-24(20)15-16-8-10-17(11-9-16)21(27)23-19-12-13-22-25(19)18-5-2-1-3-6-18/h8-13,18H,1-7,14-15H2,(H,23,27)
InChIKeyJPKLOQSIADPWSY-UHFFFAOYSA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
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N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-(aminomethyl)cyclohexyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119611457
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95138423
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N-(2-cyclopentylpyrazol-3-yl)-4-imidazol-1-ylbenzamide
CID 134707115
N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952749

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 78807034) is N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccnn1C1CCCCC1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is JPKLOQSIADPWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20-7-4-14-24(20)15-16-8-10-17(11-9-16)21(27)23-19-12-13-22-25(19)18-5-2-1-3-6-18/h8-13,18H,1-7,14-15H2,(H,23,27).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 78807034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).