N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide

C14H16N4O3 — CID 833279

IUPACN'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C14H16N4O3/c1-9-7-12(16-15-9)14(20)18-17-13(19)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16)(H,17,19)(H,18,20)
InChIKeyXZADMHQDAQODNT-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.73
Rot. Bonds4

About N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide

N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 833279) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID833279
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C14H16N4O3/c1-9-7-12(16-15-9)14(20)18-17-13(19)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16)(H,17,19)(H,18,20)
InChIKeyXZADMHQDAQODNT-UHFFFAOYSA-N
XLogP0.73
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 589142
3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1399024
3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 1243311
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide (CID 833279) is N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cc(C)[nH]n2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is XZADMHQDAQODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-12(16-15-9)14(20)18-17-13(19)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16)(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 288.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 833279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).