(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide

C19H17N3O — CID 7589756

IUPAC(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H17N3O/c23-19(12-11-16-7-3-1-4-8-16)21-18-13-14-20-22(18)15-17-9-5-2-6-10-17/h1-14H,15H2,(H,21,23)/b12-11+
InChIKeyDKVLFEQYDIWRBQ-VAWYXSNFSA-N
MW303.37 g/mol
LogP3.58
Rot. Bonds5

About (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide

(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide (PubChem CID 7589756) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
PubChem CID7589756
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H17N3O/c23-19(12-11-16-7-3-1-4-8-16)21-18-13-14-20-22(18)15-17-9-5-2-6-10-17/h1-14H,15H2,(H,21,23)/b12-11+
InChIKeyDKVLFEQYDIWRBQ-VAWYXSNFSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylpyrazol-3-yl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 55537547
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 76858064
(E)-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 38077301
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 7504750
(E)-N-(2-benzylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 8622969
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(2-benzylpyrazol-3-yl)prop-2-enamide
CID 55432950
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 86883847
(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 17482295
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide (CID 7589756) is (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide?
The InChIKey is DKVLFEQYDIWRBQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(12-11-16-7-3-1-4-8-16)21-18-13-14-20-22(18)15-17-9-5-2-6-10-17/h1-14H,15H2,(H,21,23)/b12-11+.
What are the key properties of (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide?
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide has a molecular weight of 303.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 7589756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).