1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide

C18H20N4O — CID 78830290

IUPAC1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide
SMILESN#CC1(NC(=O)c2cnn(Cc3ccccc3)c2)CCCCC1
InChIInChI=1S/C18H20N4O/c19-14-18(9-5-2-6-10-18)21-17(23)16-11-20-22(13-16)12-15-7-3-1-4-8-15/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,21,23)
InChIKeyQMCAQBUVWXROPG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.89
Rot. Bonds4

About 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide

1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide (PubChem CID 78830290) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide
PubChem CID78830290
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide
SMILESN#CC1(NC(=O)c2cnn(Cc3ccccc3)c2)CCCCC1
InChIInChI=1S/C18H20N4O/c19-14-18(9-5-2-6-10-18)21-17(23)16-11-20-22(13-16)12-15-7-3-1-4-8-15/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,21,23)
InChIKeyQMCAQBUVWXROPG-UHFFFAOYSA-N
XLogP2.89
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544737
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-5-chloro-N-(1-cyanocyclohexyl)-3-methylpyrazole-4-carboxamide
CID 78830551
1-benzyl-N-(1-cyanocyclopropyl)pyrazole-4-sulfonamide
CID 71909646
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593
N-(1-cyanocyclopentyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 86978977
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 18157170
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide (CID 78830290) is 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide is N#CC1(NC(=O)c2cnn(Cc3ccccc3)c2)CCCCC1.
What is the InChIKey of 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide?
The InChIKey is QMCAQBUVWXROPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-14-18(9-5-2-6-10-18)21-17(23)16-11-20-22(13-16)12-15-7-3-1-4-8-15/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,21,23).
What are the key properties of 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide?
1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78830290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).