3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide

C12H14N4O3 — CID 785587

IUPAC3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1OC
InChIInChI=1S/C12H14N4O3/c1-18-10-4-3-7(5-11(10)19-2)8-6-9(16-15-8)12(17)14-13/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyUKZMUSHNNHBWJV-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.70
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide

3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 785587) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID785587
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1OC
InChIInChI=1S/C12H14N4O3/c1-18-10-4-3-7(5-11(10)19-2)8-6-9(16-15-8)12(17)14-13/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyUKZMUSHNNHBWJV-UHFFFAOYSA-N
XLogP0.70
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2H-pyrazole-3-carboxylic acid
CID 847161
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
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-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 785587) is 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is UKZMUSHNNHBWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-10-4-3-7(5-11(10)19-2)8-6-9(16-15-8)12(17)14-13/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 785587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).