(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide

C18H14ClN3O — CID 118731079

IUPAC(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C18H14ClN3O/c19-15-9-6-13(7-10-15)8-11-18(23)20-17-12-16(21-22-17)14-4-2-1-3-5-14/h1-12H,(H2,20,21,22,23)/b11-8+
InChIKeyULUYCABTXCCRBA-DHZHZOJOSA-N
MW323.78 g/mol
LogP4.38
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 118731079) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID118731079
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C18H14ClN3O/c19-15-9-6-13(7-10-15)8-11-18(23)20-17-12-16(21-22-17)14-4-2-1-3-5-14/h1-12H,(H2,20,21,22,23)/b11-8+
InChIKeyULUYCABTXCCRBA-DHZHZOJOSA-N
XLogP4.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619831
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67342565
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372065
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 77072567
4-chloro-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
CID 164612116
5-chloro-2-[3-(4-phenylphenyl)prop-2-enoylamino]benzoic acid
CID 66680842
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619569

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide (CID 118731079) is (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is ULUYCABTXCCRBA-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-15-9-6-13(7-10-15)8-11-18(23)20-17-12-16(21-22-17)14-4-2-1-3-5-14/h1-12H,(H2,20,21,22,23)/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 323.78 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 118731079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).