(E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine

C16H12F3N3S — CID 58907091

IUPAC(E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)cc1/N=C/c1ccsc1
InChIInChI=1S/C16H12F3N3S/c1-22-15(20-9-11-6-7-23-10-11)8-14(21-22)12-2-4-13(5-3-12)16(17,18)19/h2-10H,1H3/b20-9+
InChIKeyFKQLIKQCAMUSNN-AWQFTUOYSA-N
MW335.35 g/mol
LogP4.92
Rot. Bonds3

About (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine

(E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine (PubChem CID 58907091) has the molecular formula C16H12F3N3S and a molecular weight of 335.35 g/mol. Its IUPAC name is (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine
PubChem CID58907091
Molecular FormulaC16H12F3N3S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC Name(E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)cc1/N=C/c1ccsc1
InChIInChI=1S/C16H12F3N3S/c1-22-15(20-9-11-6-7-23-10-11)8-14(21-22)12-2-4-13(5-3-12)16(17,18)19/h2-10H,1H3/b20-9+
InChIKeyFKQLIKQCAMUSNN-AWQFTUOYSA-N
XLogP4.92
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine?
The IUPAC name of (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine (CID 58907091) is (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine.
What is the SMILES notation for (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine?
The canonical SMILES for (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine is Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1/N=C/c1ccsc1.
What is the InChIKey of (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine?
The InChIKey is FKQLIKQCAMUSNN-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H12F3N3S/c1-22-15(20-9-11-6-7-23-10-11)8-14(21-22)12-2-4-13(5-3-12)16(17,18)19/h2-10H,1H3/b20-9+.
What are the key properties of (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine?
(E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine has a molecular weight of 335.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 58907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).