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

C15H18N4O3 — CID 5411442

IUPACN-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2cc(C)[nH]n2)c(OC)c1
InChIInChI=1S/C15H18N4O3/c1-9-7-13(18-16-9)15(20)19-17-10(2)12-6-5-11(21-3)8-14(12)22-4/h5-8H,1-4H3,(H,16,18)(H,19,20)/b17-10+
InChIKeyPBHLAIFKGKLJJB-LICLKQGHSA-N
MW302.33 g/mol
LogP1.89
Rot. Bonds5

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

N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 5411442) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID5411442
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2cc(C)[nH]n2)c(OC)c1
InChIInChI=1S/C15H18N4O3/c1-9-7-13(18-16-9)15(20)19-17-10(2)12-6-5-11(21-3)8-14(12)22-4/h5-8H,1-4H3,(H,16,18)(H,19,20)/b17-10+
InChIKeyPBHLAIFKGKLJJB-LICLKQGHSA-N
XLogP1.89
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
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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Related Compounds

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
5-(2,4-dimethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 4737220
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
3-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-5-carbohydrazide
CID 833281
3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide
CID 854342
5-(4-Isobutoxy-phenyl)-2H-pyrazole-3-carboxylic acid hydrazide
CID 946051
5-(4-Meo-PH)-2H-pyrazole-3-carboxylic acid (3,4,5-tri-meo-benzylidene)-hydrazide
CID 5726113
N'-(3,5-dimethoxy-4-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 16277106

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 5411442) is N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is COc1ccc(/C(C)=N/NC(=O)c2cc(C)[nH]n2)c(OC)c1.
What is the InChIKey of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PBHLAIFKGKLJJB-LICLKQGHSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-7-13(18-16-9)15(20)19-17-10(2)12-6-5-11(21-3)8-14(12)22-4/h5-8H,1-4H3,(H,16,18)(H,19,20)/b17-10+.
What are the key properties of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5411442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).