(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

C19H20F3N3O2 — CID 66928315

IUPAC(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)CCCCn1cc(NC(=O)/C=C\c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C19H20F3N3O2/c1-14(26)6-4-5-11-25-13-16(12-23-25)24-18(27)10-9-15-7-2-3-8-17(15)19(20,21)22/h2-3,7-10,12-13H,4-6,11H2,1H3,(H,24,27)/b10-9-
InChIKeyKXUOTBBJEJNQTA-KTKRTIGZSA-N
MW379.38 g/mol
LogP4.31
Rot. Bonds8

About (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 66928315) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID66928315
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)CCCCn1cc(NC(=O)/C=C\c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C19H20F3N3O2/c1-14(26)6-4-5-11-25-13-16(12-23-25)24-18(27)10-9-15-7-2-3-8-17(15)19(20,21)22/h2-3,7-10,12-13H,4-6,11H2,1H3,(H,24,27)/b10-9-
InChIKeyKXUOTBBJEJNQTA-KTKRTIGZSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide 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

3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
CID 66928257
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
CID 66929528
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66929129
3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-3-yl]prop-2-enamide
CID 66929654
(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51095084
(E)-3-(2-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19409875
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
CID 97359500
4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7309764
(E)-N-[2-[(5-acetylfuran-2-yl)methyl]triazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 42645324
(2-chlorophenyl)methyl N-[1-(5-oxohexyl)pyrazol-4-yl]carbamate
CID 66929105
4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7353542
(E)-3-(2-chlorophenyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336376

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 66928315) is (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is CC(=O)CCCCn1cc(NC(=O)/C=C\c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is KXUOTBBJEJNQTA-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-14(26)6-4-5-11-25-13-16(12-23-25)24-18(27)10-9-15-7-2-3-8-17(15)19(20,21)22/h2-3,7-10,12-13H,4-6,11H2,1H3,(H,24,27)/b10-9-.
What are the key properties of (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 379.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 66928315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).