(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide

C19H18ClF4N3O — CID 19323965

IUPAC(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C19H18ClF4N3O/c20-16-17(13-5-6-13)27(26-18(16)19(22,23)24)11-1-10-25-15(28)9-4-12-2-7-14(21)8-3-12/h2-4,7-9,13H,1,5-6,10-11H2,(H,25,28)/b9-4+
InChIKeyCWZNUMWRNRDYFM-RUDMXATFSA-N
MW415.82 g/mol
LogP4.79
Rot. Bonds7

About (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 19323965) has the molecular formula C19H18ClF4N3O and a molecular weight of 415.82 g/mol. Its IUPAC name is (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID19323965
Molecular FormulaC19H18ClF4N3O
Molecular Weight415.82 g/mol
Exact Mass415.11
IUPAC Name(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C19H18ClF4N3O/c20-16-17(13-5-6-13)27(26-18(16)19(22,23)24)11-1-10-25-15(28)9-4-12-2-7-14(21)8-3-12/h2-4,7-9,13H,1,5-6,10-11H2,(H,25,28)/b9-4+
InChIKeyCWZNUMWRNRDYFM-RUDMXATFSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)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

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropanecarboxamide
CID 19323953
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylbutanamide
CID 19323958
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 19323932
(E)-3-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]prop-2-enamide
CID 19295629
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19323971
(2R)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
CID 51389907
4-bromo-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylpyrazole-3-carboxamide
CID 4769970
1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-phenylethyl)thiourea
CID 19334431
1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylphenyl)thiourea
CID 19334424
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]ethanesulfonamide
CID 22208736
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-octadecylpropanamide
CID 19554385
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19554375

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide (CID 19323965) is (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is CWZNUMWRNRDYFM-RUDMXATFSA-N. The full InChI is InChI=1S/C19H18ClF4N3O/c20-16-17(13-5-6-13)27(26-18(16)19(22,23)24)11-1-10-25-15(28)9-4-12-2-7-14(21)8-3-12/h2-4,7-9,13H,1,5-6,10-11H2,(H,25,28)/b9-4+.
What are the key properties of (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 415.82 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 19323965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).