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

C21H23N5O4 — CID 25224191

IUPACN-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23N5O4/c1-13-19(21(27)23-15-7-10-17(29-3)18(11-15)30-4)20(26-24-13)25-22-12-14-5-8-16(28-2)9-6-14/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)/b22-12+
InChIKeyGGVCVEDOKZBUDA-WSDLNYQXSA-N
MW409.45 g/mol
LogP3.44
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 25224191) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID25224191
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23N5O4/c1-13-19(21(27)23-15-7-10-17(29-3)18(11-15)30-4)20(26-24-13)25-22-12-14-5-8-16(28-2)9-6-14/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)/b22-12+
InChIKeyGGVCVEDOKZBUDA-WSDLNYQXSA-N
XLogP3.44
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 25224191) is N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/Nc2n[nH]c(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is GGVCVEDOKZBUDA-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-13-19(21(27)23-15-7-10-17(29-3)18(11-15)30-4)20(26-24-13)25-22-12-14-5-8-16(28-2)9-6-14/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)/b22-12+.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25224191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).