2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline

C12H11F4N3 — CID 63036476

IUPAC2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCn1cc(CNc2cc(C(F)(F)F)ccc2F)cn1
InChIInChI=1S/C12H11F4N3/c1-19-7-8(6-18-19)5-17-11-4-9(12(14,15)16)2-3-10(11)13/h2-4,6-7,17H,5H2,1H3
InChIKeyBXZYDDIQZKYRLT-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.19
Rot. Bonds3

About 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline

2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 63036476) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
PubChem CID63036476
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCn1cc(CNc2cc(C(F)(F)F)ccc2F)cn1
InChIInChI=1S/C12H11F4N3/c1-19-7-8(6-18-19)5-17-11-4-9(12(14,15)16)2-3-10(11)13/h2-4,6-7,17H,5H2,1H3
InChIKeyBXZYDDIQZKYRLT-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 28600255
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 103000500
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71854296
N-[(1-tert-butylpyrazol-4-yl)methyl]-2,5-difluoroaniline
CID 43759683
4-fluoro-5-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 103590050
4-bromo-5-fluoro-2-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 116735599
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 47364369
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline (CID 63036476) is 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline is Cn1cc(CNc2cc(C(F)(F)F)ccc2F)cn1.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is BXZYDDIQZKYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-19-7-8(6-18-19)5-17-11-4-9(12(14,15)16)2-3-10(11)13/h2-4,6-7,17H,5H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline?
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 273.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63036476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).