5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

C20H27N3O — CID 59861681

IUPAC5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)Nc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C20H27N3O/c1-14(2)18-10-5-15(3)13-19(18)20(24)22-16-6-8-17(9-7-16)23-12-4-11-21-23/h4,6-9,11-12,14-15,18-19H,5,10,13H2,1-3H3,(H,22,24)
InChIKeyDOZPYVFQASRZCC-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.52
Rot. Bonds4

About 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 59861681) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
PubChem CID59861681
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)Nc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C20H27N3O/c1-14(2)18-10-5-15(3)13-19(18)20(24)22-16-6-8-17(9-7-16)23-12-4-11-21-23/h4,6-9,11-12,14-15,18-19H,5,10,13H2,1-3H3,(H,22,24)
InChIKeyDOZPYVFQASRZCC-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079948
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814
(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 51802099
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
methyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 69229253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide (CID 59861681) is 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)Nc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is DOZPYVFQASRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)18-10-5-15(3)13-19(18)20(24)22-16-6-8-17(9-7-16)23-12-4-11-21-23/h4,6-9,11-12,14-15,18-19H,5,10,13H2,1-3H3,(H,22,24).
What are the key properties of 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide?
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 59861681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).