N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 78962898

IUPACN-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-19(8-9-6-17-18-7-9)12(20)10-3-2-4-11(5-10)13(14,15)16/h6-7,10-11H,2-5,8H2,1H3,(H,17,18)
InChIKeyNMFZIIZQGCKAJG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78962898) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78962898
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-19(8-9-6-17-18-7-9)12(20)10-3-2-4-11(5-10)13(14,15)16/h6-7,10-11H,2-5,8H2,1H3,(H,17,18)
InChIKeyNMFZIIZQGCKAJG-UHFFFAOYSA-N
XLogP2.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 48414267
4,4,4-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 65711975
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-methyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932871
4,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 81932889
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932941
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 81932957
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933191
1-[3-(1H-Pyrazol-4-YL)piperidin-1-YL]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 86787382

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78962898) is N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(Cc1cn[nH]c1)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NMFZIIZQGCKAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(8-9-6-17-18-7-9)12(20)10-3-2-4-11(5-10)13(14,15)16/h6-7,10-11H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78962898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).