N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide

C16H27N3O — CID 130233599

IUPACN-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(C)(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-15(2,3)16(4)8-6-13(7-9-16)18-14(20)12-10-17-19(5)11-12/h10-11,13H,6-9H2,1-5H3,(H,18,20)
InChIKeyRCDCTVPBAFEBPQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds2

About N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide

N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 130233599) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID130233599
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(C)(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-15(2,3)16(4)8-6-13(7-9-16)18-14(20)12-10-17-19(5)11-12/h10-11,13H,6-9H2,1-5H3,(H,18,20)
InChIKeyRCDCTVPBAFEBPQ-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
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
[(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
[(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
N-(4-cyclohexyl-1,1-difluoro-2-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 69122518
N-(5-fluoro-2-adamantyl)-1-methylpyrazole-4-carboxamide
CID 157291845
1-methyl-N-(piperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 28742781

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide (CID 130233599) is N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(C)(C(C)(C)C)CC2)cn1.
What is the InChIKey of N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RCDCTVPBAFEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2,3)16(4)8-6-13(7-9-16)18-14(20)12-10-17-19(5)11-12/h10-11,13H,6-9H2,1-5H3,(H,18,20).
What are the key properties of N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide?
N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.14, 2 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-methylcyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 130233599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).