3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide

C19H19N5O2 — CID 25223869

IUPAC3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N5O2/c1-13-17(19(25)21-15-6-4-3-5-7-15)18(24-22-13)23-20-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,21,25)(H2,22,23,24)/b20-12+
InChIKeyRMDSLLJKAVJUJW-UDWIEESQSA-N
MW349.39 g/mol
LogP3.43
Rot. Bonds6

About 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide

3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 25223869) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID25223869
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N5O2/c1-13-17(19(25)21-15-6-4-3-5-7-15)18(24-22-13)23-20-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,21,25)(H2,22,23,24)/b20-12+
InChIKeyRMDSLLJKAVJUJW-UDWIEESQSA-N
XLogP3.43
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 25223869) is 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is RMDSLLJKAVJUJW-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-17(19(25)21-15-6-4-3-5-7-15)18(24-22-13)23-20-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,21,25)(H2,22,23,24)/b20-12+.
What are the key properties of 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide?
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25223869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).