3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

C17H15N3O3 — CID 174927871

IUPAC3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(O)cc3O)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O3/c1-10-2-4-11(5-3-10)20-15(17(18)23)9-14(19-20)13-7-6-12(21)8-16(13)22/h2-9,21-22H,1H3,(H2,18,23)
InChIKeyMPNKQYQVDDEWRG-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.36
Rot. Bonds3

About 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 174927871) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID174927871
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(O)cc3O)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O3/c1-10-2-4-11(5-3-10)20-15(17(18)23)9-14(19-20)13-7-6-12(21)8-16(13)22/h2-9,21-22H,1H3,(H2,18,23)
InChIKeyMPNKQYQVDDEWRG-UHFFFAOYSA-N
XLogP2.36
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 174927871) is 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccc(O)cc3O)cc2C(N)=O)cc1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is MPNKQYQVDDEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-2-4-11(5-3-10)20-15(17(18)23)9-14(19-20)13-7-6-12(21)8-16(13)22/h2-9,21-22H,1H3,(H2,18,23).
What are the key properties of 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 174927871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).