3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide

C18H24N4O — CID 95968799

IUPAC3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1
InChIInChI=1S/C18H24N4O/c1-21(2)15-8-5-7-14(13-15)18(23)20-16-9-3-4-10-17(16)22-12-6-11-19-22/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyIMKLASVFVSHSMK-DLBZAZTESA-N
MW312.42 g/mol
LogP2.86
Rot. Bonds4

About 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide

3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide (PubChem CID 95968799) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
PubChem CID95968799
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1
InChIInChI=1S/C18H24N4O/c1-21(2)15-8-5-7-14(13-15)18(23)20-16-9-3-4-10-17(16)22-12-6-11-19-22/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyIMKLASVFVSHSMK-DLBZAZTESA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
CID 95784960
3-methoxy-2-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 99841643
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide
CID 154815880
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide (CID 95968799) is 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide is CN(C)c1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide?
The InChIKey is IMKLASVFVSHSMK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(2)15-8-5-7-14(13-15)18(23)20-16-9-3-4-10-17(16)22-12-6-11-19-22/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3,(H,20,23)/t16-,17+/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide?
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide is sourced from PubChem (CID 95968799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).