(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

C24H18N4OS — CID 2369988

IUPAC(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H18N4OS/c1-17-8-5-6-11-21(17)26-24(29)18(15-25)14-19-16-28(20-9-3-2-4-10-20)27-23(19)22-12-7-13-30-22/h2-14,16H,1H3,(H,26,29)/b18-14-
InChIKeyXEBPQZURBKWDFC-JXAWBTAJSA-N
MW410.50 g/mol
LogP5.45
Rot. Bonds5

About (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 2369988) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
PubChem CID2369988
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H18N4OS/c1-17-8-5-6-11-21(17)26-24(29)18(15-25)14-19-16-28(20-9-3-2-4-10-20)27-23(19)22-12-7-13-30-22/h2-14,16H,1H3,(H,26,29)/b18-14-
InChIKeyXEBPQZURBKWDFC-JXAWBTAJSA-N
XLogP5.45
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(1-phenylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 6259308
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 18269374
(E)-2-(benzenesulfonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile
CID 34307593
(E)-2-cyano-N-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 78814569
N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 34316525
(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-naphthalen-1-ylprop-2-enamide
CID 6299761
N-(2-chlorophenyl)-2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 74272592
(Z)-N-(2-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2424458
(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 52555357
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 6197113
3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3273292
(E)-2-cyano-N-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 9030034

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (CID 2369988) is (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is XEBPQZURBKWDFC-JXAWBTAJSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-17-8-5-6-11-21(17)26-24(29)18(15-25)14-19-16-28(20-9-3-2-4-10-20)27-23(19)22-12-7-13-30-22/h2-14,16H,1H3,(H,26,29)/b18-14-.
What are the key properties of (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 410.50 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 2369988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).