4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane

C15H27N3O — CID 144881835

IUPAC4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
SMILESCC.CC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O.C2H6/c1-13(2)5-3-11(4-6-13)12(17)14-7-10-8-15-16-9-10;1-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)(H,15,16);1-2H3
InChIKeyQMJSVNANAGVEBH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.27
Rot. Bonds3

About 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane

4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane (PubChem CID 144881835) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound Name4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
PubChem CID144881835
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
SMILESCC.CC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O.C2H6/c1-13(2)5-3-11(4-6-13)12(17)14-7-10-8-15-16-9-10;1-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)(H,15,16);1-2H3
InChIKeyQMJSVNANAGVEBH-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 1246452
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
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-[(5-amino-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933191
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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane?
The IUPAC name of 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane (CID 144881835) is 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane.
What is the SMILES notation for 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane?
The canonical SMILES for 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane is CC.CC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane?
The InChIKey is QMJSVNANAGVEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.C2H6/c1-13(2)5-3-11(4-6-13)12(17)14-7-10-8-15-16-9-10;1-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)(H,15,16);1-2H3.
What are the key properties of 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane?
4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane has a molecular weight of 265.40 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 4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 144881835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).