(E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide

C19H16F3N3O2 — CID 147122366

IUPAC(E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(Cn2cc(NC(=O)/C=C/c3ccco3)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c1-13-4-5-14(17(9-13)19(20,21)22)11-25-12-15(10-23-25)24-18(26)7-6-16-3-2-8-27-16/h2-10,12H,11H2,1H3,(H,24,26)/b7-6+
InChIKeyBOPWAEJYKSQZGY-VOTSOKGWSA-N
MW375.35 g/mol
LogP4.50
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide (PubChem CID 147122366) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide
PubChem CID147122366
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name(E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(Cn2cc(NC(=O)/C=C/c3ccco3)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c1-13-4-5-14(17(9-13)19(20,21)22)11-25-12-15(10-23-25)24-18(26)7-6-16-3-2-8-27-16/h2-10,12H,11H2,1H3,(H,24,26)/b7-6+
InChIKeyBOPWAEJYKSQZGY-VOTSOKGWSA-N
XLogP4.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 149015948
CID 149015948
CID 146870452
CID 146870452
CID 146870453
CID 146870453
CID 147026440
CID 147026440
CID 148953841
CID 148953841
CID 148957595
CID 148957595
CID 149015949
CID 149015949
CID 149464476
CID 149464476
CID 163286486
CID 163286486
CID 163286491
CID 163286491
CID 163286495
CID 163286495
CID 22515320
CID 22515320

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide (CID 147122366) is (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide is Cc1ccc(Cn2cc(NC(=O)/C=C/c3ccco3)cn2)c(C(F)(F)F)c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide?
The InChIKey is BOPWAEJYKSQZGY-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-13-4-5-14(17(9-13)19(20,21)22)11-25-12-15(10-23-25)24-18(26)7-6-16-3-2-8-27-16/h2-10,12H,11H2,1H3,(H,24,26)/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide has a molecular weight of 375.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 147122366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).