N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine

C16H11ClF3N3S — CID 2821134

IUPACN-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H11ClF3N3S/c1-23-13(8-15(22-23)16(18,19)20)14-7-6-12(24-14)9-21-11-4-2-10(17)3-5-11/h2-9H,1H3/b21-9+
InChIKeyDPBCVSSAKDJHDG-ZVBGSRNCSA-N
MW369.80 g/mol
LogP5.57
Rot. Bonds3

About N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine

N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine (PubChem CID 2821134) has the molecular formula C16H11ClF3N3S and a molecular weight of 369.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine
PubChem CID2821134
Molecular FormulaC16H11ClF3N3S
Molecular Weight369.80 g/mol
Exact Mass369.03
IUPAC NameN-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H11ClF3N3S/c1-23-13(8-15(22-23)16(18,19)20)14-7-6-12(24-14)9-21-11-4-2-10(17)3-5-11/h2-9H,1H3/b21-9+
InChIKeyDPBCVSSAKDJHDG-ZVBGSRNCSA-N
XLogP5.57
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine 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

Methyl 4-[(4-chlorophenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339362
(E)-2-(4-chlorophenyl)sulfonyl-3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]prop-2-enenitrile
CID 5897783
N-[(4-chlorophenyl)-methylidene-oxo-lambda6-sulfanyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 155549433
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
3-[5-[1-(4-Chlorophenyl)sulfonylpyrazol-3-yl]thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 2820325
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820442
3-[5-(4-Chlorophenyl)sulfanylthiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 2820854
(Z)-2-amino-3-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methylideneamino]but-2-enedinitrile
CID 2821099
1-methyl-3-(thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 2780594
5-(5-Chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole
CID 18920364
1-Methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 20767953

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine (CID 2821134) is N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine is Cn1nc(C(F)(F)F)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine?
The InChIKey is DPBCVSSAKDJHDG-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H11ClF3N3S/c1-23-13(8-15(22-23)16(18,19)20)14-7-6-12(24-14)9-21-11-4-2-10(17)3-5-11/h2-9H,1H3/b21-9+.
What are the key properties of N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine?
N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine has a molecular weight of 369.80 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine is sourced from PubChem (CID 2821134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).