3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C11H12N4O2 — CID 801126

IUPAC3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)9-6-10(15-14-9)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyISIHBTUBCACZGP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.69
Rot. Bonds3

About 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 801126) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID801126
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)9-6-10(15-14-9)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyISIHBTUBCACZGP-UHFFFAOYSA-N
XLogP0.69
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 649042
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
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 801126) is 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is ISIHBTUBCACZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)9-6-10(15-14-9)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 232.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 801126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).