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

C19H39N3O — CID 144881827

IUPAC4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
SMILESCC.CC.CC.CC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O.3C2H6/c1-13(2)5-3-11(4-6-13)12(17)14-7-10-8-15-16-9-10;3*1-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)(H,15,16);3*1-2H3
InChIKeyGWTTUULMEAWWJU-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.32
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 144881827) has the molecular formula C19H39N3O and a molecular weight of 325.54 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 CID144881827
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
SMILESCC.CC.CC.CC1(C)CCC(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O.3C2H6/c1-13(2)5-3-11(4-6-13)12(17)14-7-10-8-15-16-9-10;3*1-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)(H,15,16);3*1-2H3
InChIKeyGWTTUULMEAWWJU-UHFFFAOYSA-N
XLogP5.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.32
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-(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-[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 4,4-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 144881827) 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.CC.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 GWTTUULMEAWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.3C2H6/c1-13(2)5-3-11(4-6-13)12(17)14-7-10-8-15-16-9-10;3*1-2/h8-9,11H,3-7H2,1-2H3,(H,14,17)(H,15,16);3*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 325.54 g/mol, XLogP of 5.32, 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 144881827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).