4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline

C14H14F3N3 — CID 134377497

IUPAC4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
SMILESCNc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C14H14F3N3/c1-18-10-4-6-11(7-5-10)20-12(9-2-3-9)8-13(19-20)14(15,16)17/h4-9,18H,2-3H2,1H3
InChIKeyJAXZTAPIVAVIQS-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.81
Rot. Bonds3

About 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline

4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline (PubChem CID 134377497) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
PubChem CID134377497
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
SMILESCNc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C14H14F3N3/c1-18-10-4-6-11(7-5-10)20-12(9-2-3-9)8-13(19-20)14(15,16)17/h4-9,18H,2-3H2,1H3
InChIKeyJAXZTAPIVAVIQS-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833
N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
CID 142797933
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-quinolin-6-ylacetamide
CID 52913841
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19614112
2-chloro-N'-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanimidamide
CID 169368196
methyl 4-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563419
1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
CID 174976483
N-methyl-4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 11794986
3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole
CID 141307719
tert-butyl 4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 118166974
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 123879209

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline?
The IUPAC name of 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline (CID 134377497) is 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline.
What is the SMILES notation for 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline?
The canonical SMILES for 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline is CNc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline?
The InChIKey is JAXZTAPIVAVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-18-10-4-6-11(7-5-10)20-12(9-2-3-9)8-13(19-20)14(15,16)17/h4-9,18H,2-3H2,1H3.
What are the key properties of 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline?
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline has a molecular weight of 281.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline is sourced from PubChem (CID 134377497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).