(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide

C22H23N3O — CID 19327946

IUPAC(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
SMILESCc1cnn(CCCNC(=O)/C(=C\c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-18-16-24-25(17-18)14-8-13-23-22(26)21(20-11-6-3-7-12-20)15-19-9-4-2-5-10-19/h2-7,9-12,15-17H,8,13-14H2,1H3,(H,23,26)/b21-15-
InChIKeyQLLQJRDGJGVOFB-QNGOZBTKSA-N
MW345.45 g/mol
LogP3.94
Rot. Bonds7

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

(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide (PubChem CID 19327946) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
PubChem CID19327946
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide
SMILESCc1cnn(CCCNC(=O)/C(=C\c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-18-16-24-25(17-18)14-8-13-23-22(26)21(20-11-6-3-7-12-20)15-19-9-4-2-5-10-19/h2-7,9-12,15-17H,8,13-14H2,1H3,(H,23,26)/b21-15-
InChIKeyQLLQJRDGJGVOFB-QNGOZBTKSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isopropylbenzamide
CID 658362
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isobutylbenzamide
CID 3238106
1-benzyl-1 H-pyrazole-4-carboxylic acid 4-carbamimidoyl-benzylamide
CID 24857697
6-(3-aminopropyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443524
US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 86290349
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
CID 118714367

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide (CID 19327946) is (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide is Cc1cnn(CCCNC(=O)/C(=C\c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
The InChIKey is QLLQJRDGJGVOFB-QNGOZBTKSA-N. The full InChI is InChI=1S/C22H23N3O/c1-18-16-24-25(17-18)14-8-13-23-22(26)21(20-11-6-3-7-12-20)15-19-9-4-2-5-10-19/h2-7,9-12,15-17H,8,13-14H2,1H3,(H,23,26)/b21-15-.
What are the key properties of (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide?
(Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide has a molecular weight of 345.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19327946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).