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

C11H14F3N3O — CID 112686196

IUPACN-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18)
InChIKeyXLDTXIJKPDKNNA-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.72
Rot. Bonds2

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

N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 112686196) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID112686196
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18)
InChIKeyXLDTXIJKPDKNNA-UHFFFAOYSA-N
XLogP2.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429525
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 139539367
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47327530
3-cyclohexyl-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]butanamide
CID 60322784
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 75358382
N-(1-tert-butylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 75405814
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
trans-(1S,2S)-N-(1-tert-butylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95164339
cis-(1R,2S)-N-(1-tert-butylpyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95235523

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 112686196) is N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1cn[nH]c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is XLDTXIJKPDKNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h5-6,8-9H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112686196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).