(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide

C24H21N5O — CID 9479636

IUPAC(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
SMILESCN(NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C24H21N5O/c1-28(21-10-4-2-5-11-21)26-23(30)15-14-20-18-29(22-12-6-3-7-13-22)27-24(20)19-9-8-16-25-17-19/h2-18H,1H3,(H,26,30)/b15-14+
InChIKeyPPQNMXKTSNFVLV-CCEZHUSRSA-N
MW395.47 g/mol
LogP4.12
Rot. Bonds6

About (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide

(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide (PubChem CID 9479636) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
PubChem CID9479636
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
SMILESCN(NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C24H21N5O/c1-28(21-10-4-2-5-11-21)26-23(30)15-14-20-18-29(22-12-6-3-7-13-22)27-24(20)19-9-8-16-25-17-19/h2-18H,1H3,(H,26,30)/b15-14+
InChIKeyPPQNMXKTSNFVLV-CCEZHUSRSA-N
XLogP4.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N-(3-methoxypropyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
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1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
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2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
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(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
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CID 9165077
(E)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 166379826
(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
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3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide (CID 9479636) is (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide is CN(NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1.
What is the InChIKey of (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide?
The InChIKey is PPQNMXKTSNFVLV-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H21N5O/c1-28(21-10-4-2-5-11-21)26-23(30)15-14-20-18-29(22-12-6-3-7-13-22)27-24(20)19-9-8-16-25-17-19/h2-18H,1H3,(H,26,30)/b15-14+.
What are the key properties of (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide?
(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide has a molecular weight of 395.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide is sourced from PubChem (CID 9479636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).