(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

C19H14N4O — CID 2688371

IUPAC(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
SMILESN#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O
InChIInChI=1S/C19H14N4O/c20-12-15(19(21)24)11-16-13-23(17-9-5-2-6-10-17)22-18(16)14-7-3-1-4-8-14/h1-11,13H,(H2,21,24)/b15-11-
InChIKeyIONAMTQUYCMBFK-PTNGSMBKSA-N
MW314.35 g/mol
LogP2.93
Rot. Bonds4

About (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide (PubChem CID 2688371) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
PubChem CID2688371
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
SMILESN#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O
InChIInChI=1S/C19H14N4O/c20-12-15(19(21)24)11-16-13-23(17-9-5-2-6-10-17)22-18(16)14-7-3-1-4-8-14/h1-11,13H,(H2,21,24)/b15-11-
InChIKeyIONAMTQUYCMBFK-PTNGSMBKSA-N
XLogP2.93
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
(E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 877281
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
CID 2345073
(Z)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2332925
(Z)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2361702
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
(Z)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate
CID 2345559
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17384864
2-amino-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 5178043
(E)-2-cyano-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide
CID 2393033
(E)-2-cyano-N-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 78814569
2-methoxyethyl (E)-2-cyano-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 7948248

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide (CID 2688371) is (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is IONAMTQUYCMBFK-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H14N4O/c20-12-15(19(21)24)11-16-13-23(17-9-5-2-6-10-17)22-18(16)14-7-3-1-4-8-14/h1-11,13H,(H2,21,24)/b15-11-.
What are the key properties of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 314.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 2688371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).