N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide

C18H31N3O — CID 122679853

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H31N3O/c1-13(2)18(17(3,4)5)9-7-15(8-10-18)20-16(22)14-11-19-21(6)12-14/h11-13,15H,7-10H2,1-6H3,(H,20,22)
InChIKeyBXUQDVAPKXIDFM-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.78
Rot. Bonds3

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 122679853) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID122679853
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H31N3O/c1-13(2)18(17(3,4)5)9-7-15(8-10-18)20-16(22)14-11-19-21(6)12-14/h11-13,15H,7-10H2,1-6H3,(H,20,22)
InChIKeyBXUQDVAPKXIDFM-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 844723
N-[1-(1-adamantyl)ethyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 3424399
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 5111812
N-cyclohexyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53576139
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
(1S,11R)-2-(1-methylpyrazole-4-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199290
5-[1-(1-Methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201713
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 25367596
1-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 72019051
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
CID 96522378
2-(1-methylcyclohexyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241001

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide (CID 122679853) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide is CC(C)C1(C(C)(C)C)CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BXUQDVAPKXIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-13(2)18(17(3,4)5)9-7-15(8-10-18)20-16(22)14-11-19-21(6)12-14/h11-13,15H,7-10H2,1-6H3,(H,20,22).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 305.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122679853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).