N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H16F3N3O — CID 104622450

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2C(F)(F)F)n[nH]1
InChIInChI=1S/C12H16F3N3O/c1-7-6-10(18-17-7)16-11(19)8-4-2-3-5-9(8)12(13,14)15/h6,8-9H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyQGHXZCOOHIXPOW-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.03
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622450) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622450
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2C(F)(F)F)n[nH]1
InChIInChI=1S/C12H16F3N3O/c1-7-6-10(18-17-7)16-11(19)8-4-2-3-5-9(8)12(13,14)15/h6,8-9H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyQGHXZCOOHIXPOW-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 104617966
N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47289727
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115624423
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95259732
2-cyclohexyloxy-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289841
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide
CID 81096057

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622450) is N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCCC2C(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QGHXZCOOHIXPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-6-10(18-17-7)16-11(19)8-4-2-3-5-9(8)12(13,14)15/h6,8-9H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).