4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

C16H27N3O — CID 130233484

IUPAC4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C16H27N3O/c1-15(2,3)16(4)7-5-13(6-8-16)14(20)17-9-12-10-18-19-11-12/h10-11,13H,5-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyQOXRJIVPFFUSGT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds3

About 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 130233484) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID130233484
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C16H27N3O/c1-15(2,3)16(4)7-5-13(6-8-16)14(20)17-9-12-10-18-19-11-12/h10-11,13H,5-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyQOXRJIVPFFUSGT-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962898
N-methyl-N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932780
4,4-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932796
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932833
4,4-difluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932854
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856220
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856617
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622445
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834427
3,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226467

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (CID 130233484) is 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is CC(C)(C)C1(C)CCC(C(=O)NCc2cn[nH]c2)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is QOXRJIVPFFUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2,3)16(4)7-5-13(6-8-16)14(20)17-9-12-10-18-19-11-12/h10-11,13H,5-9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130233484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).