3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide

C13H16N4O2 — CID 54851501

IUPAC3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCCOc1ccccc1-c1n[nH]c(C)c1C(=O)NN
InChIInChI=1S/C13H16N4O2/c1-3-19-10-7-5-4-6-9(10)12-11(13(18)15-14)8(2)16-17-12/h4-7H,3,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOEENSEQEOWTJPJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.39
Rot. Bonds4

About 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide

3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide (PubChem CID 54851501) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
PubChem CID54851501
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCCOc1ccccc1-c1n[nH]c(C)c1C(=O)NN
InChIInChI=1S/C13H16N4O2/c1-3-19-10-7-5-4-6-9(10)12-11(13(18)15-14)8(2)16-17-12/h4-7H,3,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOEENSEQEOWTJPJ-UHFFFAOYSA-N
XLogP1.39
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.39
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'}

Analyze 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide
CID 54851417
3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54850904
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
ethyl 5-[2-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400116
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
4-(2-ethoxyphenyl)-2,6-bis(2-methylphenyl)pyrimidine-5-carboxylic acid
CID 151058950
methyl 2-(2-ethoxyphenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 28556320
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
CID 54850620
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide (CID 54851501) is 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide is CCOc1ccccc1-c1n[nH]c(C)c1C(=O)NN.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is OEENSEQEOWTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-10-7-5-4-6-9(10)12-11(13(18)15-14)8(2)16-17-12/h4-7H,3,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 260.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 54851501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).