(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine

C11H12F3N3 — CID 143061895

IUPAC(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine
SMILESC=C/N=C(\C=C/C)c1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C11H12F3N3/c1-4-6-8(15-5-2)9-7(3)10(17-16-9)11(12,13)14/h4-6H,2H2,1,3H3,(H,16,17)/b6-4-,15-8+
InChIKeySYVFLNKLCSAXOC-KKMCOEOTSA-N
MW243.23 g/mol
LogP3.25
Rot. Bonds3

About (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine

(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine (PubChem CID 143061895) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine
PubChem CID143061895
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine
SMILESC=C/N=C(\C=C/C)c1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C11H12F3N3/c1-4-6-8(15-5-2)9-7(3)10(17-16-9)11(12,13)14/h4-6H,2H2,1,3H3,(H,16,17)/b6-4-,15-8+
InChIKeySYVFLNKLCSAXOC-KKMCOEOTSA-N
XLogP3.25
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine 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

(2E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
CID 50978581
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 13956734
5-methyl-4-propyl-3-(trifluoromethyl)-1H-pyrazole
CID 21618541
3-(trifluoroMethyl)-5-isopropyl-1H-pyrazole
CID 23006214
5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole
CID 23006215
4-butyl-5-(trifluoromethyl)-1H-pyrazole
CID 54363351
5-pentyl-4-prop-2-enyl-3-(trifluoromethyl)-1H-pyrazole
CID 67645115
4-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 68223081
4-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 91286328
5-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 118271254

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine (CID 143061895) is (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine is C=C/N=C(\C=C/C)c1n[nH]c(C(F)(F)F)c1C.
What is the InChIKey of (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine?
The InChIKey is SYVFLNKLCSAXOC-KKMCOEOTSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-4-6-8(15-5-2)9-7(3)10(17-16-9)11(12,13)14/h4-6H,2H2,1,3H3,(H,16,17)/b6-4-,15-8+.
What are the key properties of (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine?
(Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine has a molecular weight of 243.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]but-2-en-1-imine is sourced from PubChem (CID 143061895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).