5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide

C15H18N4O5 — CID 833281

IUPAC5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C15H18N4O5/c1-8-5-10(17-16-8)15(21)19-18-14(20)9-6-11(22-2)13(24-4)12(7-9)23-3/h5-7H,1-4H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyREAILILVQCVQSX-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.82
Rot. Bonds5

About 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide

5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 833281) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide
PubChem CID833281
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C15H18N4O5/c1-8-5-10(17-16-8)15(21)19-18-14(20)9-6-11(22-2)13(24-4)12(7-9)23-3/h5-7H,1-4H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyREAILILVQCVQSX-UHFFFAOYSA-N
XLogP0.82
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(3,4,5-trimethoxybenzylidene)propanehydrazide
CID 6888765
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
(3-Phenyl-1H-pyrazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53364125
(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one
CID 90718192
(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one
CID 117928007
(E)-3-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 117928185

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide (CID 833281) is 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is REAILILVQCVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-8-5-10(17-16-8)15(21)19-18-14(20)9-6-11(22-2)13(24-4)12(7-9)23-3/h5-7H,1-4H3,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide?
5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 334.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(3,4,5-trimethoxybenzoyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 833281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).