(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide

C31H25N3O — CID 19288782

IUPAC(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C31H25N3O/c35-31(29(25-15-7-2-8-16-25)21-24-13-5-1-6-14-24)32-22-27-23-34(28-19-11-4-12-20-28)33-30(27)26-17-9-3-10-18-26/h1-21,23H,22H2,(H,32,35)/b29-21-
InChIKeyYYCVYMAXIKEEAC-ANYBSYGZSA-N
MW455.56 g/mol
LogP6.40
Rot. Bonds7

About (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide

(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide (PubChem CID 19288782) has the molecular formula C31H25N3O and a molecular weight of 455.56 g/mol. Its IUPAC name is (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide
PubChem CID19288782
Molecular FormulaC31H25N3O
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C31H25N3O/c35-31(29(25-15-7-2-8-16-25)21-24-13-5-1-6-14-24)32-22-27-23-34(28-19-11-4-12-20-28)33-30(27)26-17-9-3-10-18-26/h1-21,23H,22H2,(H,32,35)/b29-21-
InChIKeyYYCVYMAXIKEEAC-ANYBSYGZSA-N
XLogP6.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-prop-2-enylthiourea
CID 19588911
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-propan-2-ylthiourea
CID 17381877
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24548793
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27864271
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methylpropyl)thiourea
CID 19580710

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide (CID 19288782) is (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide?
The InChIKey is YYCVYMAXIKEEAC-ANYBSYGZSA-N. The full InChI is InChI=1S/C31H25N3O/c35-31(29(25-15-7-2-8-16-25)21-24-13-5-1-6-14-24)32-22-27-23-34(28-19-11-4-12-20-28)33-30(27)26-17-9-3-10-18-26/h1-21,23H,22H2,(H,32,35)/b29-21-.
What are the key properties of (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide?
(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide has a molecular weight of 455.56 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19288782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).