N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide

C12H16F3N3O — CID 122490238

IUPACN-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide
SMILESO=CNCc1cn(C2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-9(6-16-8-19)7-18(17-11)10-4-2-1-3-5-10/h7-8,10H,1-6H2,(H,16,19)
InChIKeyNZDNGOKNLPHCON-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.65
Rot. Bonds4

About N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide

N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide (PubChem CID 122490238) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide
PubChem CID122490238
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide
SMILESO=CNCc1cn(C2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-9(6-16-8-19)7-18(17-11)10-4-2-1-3-5-10/h7-8,10H,1-6H2,(H,16,19)
InChIKeyNZDNGOKNLPHCON-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
CID 72698457
1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine
CID 162341282
1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol
CID 156823470
4-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfanyl]pyridine-2,3,6-triamine
CID 145039530
1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-amine
CID 122516569
2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
CID 122166396
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42284010
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
CID 146680336
ethyl 1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxylate;ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 161356645
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
1-cyclohexyl-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679178

Frequently Asked Questions

What is the IUPAC name of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide?
The IUPAC name of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide (CID 122490238) is N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide.
What is the SMILES notation for N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide?
The canonical SMILES for N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide is O=CNCc1cn(C2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide?
The InChIKey is NZDNGOKNLPHCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-9(6-16-8-19)7-18(17-11)10-4-2-1-3-5-10/h7-8,10H,1-6H2,(H,16,19).
What are the key properties of N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide?
N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide has a molecular weight of 275.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide is sourced from PubChem (CID 122490238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).