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

C26H23N3O — CID 19346305

IUPAC(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide
SMILESCc1ccccc1Cn1cc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H23N3O/c1-20-10-8-9-15-23(20)18-29-19-24(17-27-29)28-26(30)25(22-13-6-3-7-14-22)16-21-11-4-2-5-12-21/h2-17,19H,18H2,1H3,(H,28,30)/b25-16-
InChIKeyAPZQOFHLBDZWQA-XYGWBWBKSA-N
MW393.49 g/mol
LogP5.42
Rot. Bonds6

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

(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide (PubChem CID 19346305) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide
PubChem CID19346305
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide
SMILESCc1ccccc1Cn1cc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H23N3O/c1-20-10-8-9-15-23(20)18-29-19-24(17-27-29)28-26(30)25(22-13-6-3-7-14-22)16-21-11-4-2-5-12-21/h2-17,19H,18H2,1H3,(H,28,30)/b25-16-
InChIKeyAPZQOFHLBDZWQA-XYGWBWBKSA-N
XLogP5.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.42
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

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
1-(4-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19679584
1-methyl-4-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazole-5-carboxylic acid
CID 19343584
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
CID 19327946
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
1-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19395033
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide
CID 4863015
(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 1231817
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
1-[2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502079

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide (CID 19346305) is (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide is Cc1ccccc1Cn1cc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide?
The InChIKey is APZQOFHLBDZWQA-XYGWBWBKSA-N. The full InChI is InChI=1S/C26H23N3O/c1-20-10-8-9-15-23(20)18-29-19-24(17-27-29)28-26(30)25(22-13-6-3-7-14-22)16-21-11-4-2-5-12-21/h2-17,19H,18H2,1H3,(H,28,30)/b25-16-.
What are the key properties of (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide?
(Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide has a molecular weight of 393.49 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19346305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).