N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 103856220

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCCC1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C13H18F3N3O/c1-8(9-6-17-18-7-9)19-12(20)10-4-2-3-5-11(10)13(14,15)16/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyNONFCXZYWDISRL-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103856220) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103856220
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCCC1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C13H18F3N3O/c1-8(9-6-17-18-7-9)19-12(20)10-4-2-3-5-11(10)13(14,15)16/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyNONFCXZYWDISRL-UHFFFAOYSA-N
XLogP2.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47351050
N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47369495
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 48414267
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 75416589
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962898
4,4-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexane-1-carboxamide
CID 81932762
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103856220) is N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(NC(=O)C1CCCCC1C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NONFCXZYWDISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(9-6-17-18-7-9)19-12(20)10-4-2-3-5-11(10)13(14,15)16/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103856220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).