(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide

C20H17N5O — CID 60582924

IUPAC(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H17N5O/c1-14-3-5-18(6-4-14)23-20(26)16(12-21)11-17-13-25(2)24-19(17)15-7-9-22-10-8-15/h3-11,13H,1-2H3,(H,23,26)/b16-11-
InChIKeyKMQMAHANUQCUJY-WJDWOHSUSA-N
MW343.39 g/mol
LogP3.34
Rot. Bonds4

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

(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 60582924) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
PubChem CID60582924
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H17N5O/c1-14-3-5-18(6-4-14)23-20(26)16(12-21)11-17-13-25(2)24-19(17)15-7-9-22-10-8-15/h3-11,13H,1-2H3,(H,23,26)/b16-11-
InChIKeyKMQMAHANUQCUJY-WJDWOHSUSA-N
XLogP3.34
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.34
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-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 9030034
(E)-2-cyano-N-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 78814569
N-(4-chlorophenyl)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enamide
CID 4128330
(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 47495568
(E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-2-cyano-N-methylprop-2-enamide
CID 9252435
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 18269374
2-cyano-3-[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4700178
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 44885504
(Z)-2-cyano-3-[3-[3-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide
CID 18806526
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 6197113
2-cyano-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide
CID 3269718
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide (CID 60582924) is (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2-c2ccncc2)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is KMQMAHANUQCUJY-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-3-5-18(6-4-14)23-20(26)16(12-21)11-17-13-25(2)24-19(17)15-7-9-22-10-8-15/h3-11,13H,1-2H3,(H,23,26)/b16-11-.
What are the key properties of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 343.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 60582924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).