4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C17H18N4O2 — CID 58969767

IUPAC4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NNc2ccccc2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H18N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)22)17(23)21(20(12)2)13-8-4-3-5-9-13/h3-11,18-19,22H,1-2H3
InChIKeyBMLQWMVLBSSDPD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.63
Rot. Bonds4

About 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 58969767) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID58969767
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NNc2ccccc2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H18N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)22)17(23)21(20(12)2)13-8-4-3-5-9-13/h3-11,18-19,22H,1-2H3
InChIKeyBMLQWMVLBSSDPD-UHFFFAOYSA-N
XLogP2.63
TPSA71.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one 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

CID 175754430
CID 175754430
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
CID 19145
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-naphthalen-1-ylurea
CID 981859
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
CID 75611382
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-hydroxyphenyl)thiourea
CID 4913276
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
4-[1-(5-chloro-2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3493662
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
CID 3047143

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 58969767) is 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(NNc2ccccc2O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is BMLQWMVLBSSDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)22)17(23)21(20(12)2)13-8-4-3-5-9-13/h3-11,18-19,22H,1-2H3.
What are the key properties of 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 310.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 58969767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).