4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide

C20H27N3O — CID 112816364

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1
InChIInChI=1S/C20H27N3O/c1-4-16-5-9-18(10-6-16)21-20(24)17-7-11-19(12-8-17)23-15(3)13-14(2)22-23/h7-8,11-13,16,18H,4-6,9-10H2,1-3H3,(H,21,24)
InChIKeyHSPDEILRZWJUEC-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.19
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide (PubChem CID 112816364) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
PubChem CID112816364
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
SMILESCCC1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1
InChIInChI=1S/C20H27N3O/c1-4-16-5-9-18(10-6-16)21-20(24)17-7-11-19(12-8-17)23-15(3)13-14(2)22-23/h7-8,11-13,16,18H,4-6,9-10H2,1-3H3,(H,21,24)
InChIKeyHSPDEILRZWJUEC-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 86921667
4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599506
4-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 86772119
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537934
N-(cyclopropylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-propylbenzamide
CID 78785879
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide (CID 112816364) is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide is CCC1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide?
The InChIKey is HSPDEILRZWJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-16-5-9-18(10-6-16)21-20(24)17-7-11-19(12-8-17)23-15(3)13-14(2)22-23/h7-8,11-13,16,18H,4-6,9-10H2,1-3H3,(H,21,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide has a molecular weight of 325.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide is sourced from PubChem (CID 112816364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).