2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid

C23H18N2O4 — CID 3350480

IUPAC2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C23H18N2O4/c26-21-13-7-6-12-18(21)20-14-19(15-8-2-1-3-9-15)24-25(20)22(27)16-10-4-5-11-17(16)23(28)29/h1-13,20,26H,14H2,(H,28,29)
InChIKeyZHGXLDPTDDKQEI-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.08
Rot. Bonds4

About 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid

2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid (PubChem CID 3350480) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid
PubChem CID3350480
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C23H18N2O4/c26-21-13-7-6-12-18(21)20-14-19(15-8-2-1-3-9-15)24-25(20)22(27)16-10-4-5-11-17(16)23(28)29/h1-13,20,26H,14H2,(H,28,29)
InChIKeyZHGXLDPTDDKQEI-UHFFFAOYSA-N
XLogP4.08
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937527
(3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2954637
[3-(2-Hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2972359
2-{[5-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzoic acid
CID 3254809
3,5-bis-(2-hydroxyphenyl)-1N-benzoyl-4, 5-dihydro-1H-pyrazole
CID 135971398
[5-(2-hydroxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 16331309
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)(phenyl)methanone
CID 53233129
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)ptolyl)methanone
CID 54583763
[3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](4-methylphenyl)methanone
CID 3500726
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 135540890
[5-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 135971399
[3-(2-Hydroxy-3-methylphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 54581828

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid?
The IUPAC name of 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid (CID 3350480) is 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1N=C(c2ccccc2)CC1c1ccccc1O.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid?
The InChIKey is ZHGXLDPTDDKQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21-13-7-6-12-18(21)20-14-19(15-8-2-1-3-9-15)24-25(20)22(27)16-10-4-5-11-17(16)23(28)29/h1-13,20,26H,14H2,(H,28,29).
What are the key properties of 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid?
2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid has a molecular weight of 386.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbonyl]benzoic acid is sourced from PubChem (CID 3350480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).