3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one

C18H14N2O3 — CID 4532763

IUPAC3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NNC(c2ccccc2O)C1
InChIInChI=1S/C18H14N2O3/c21-16-7-3-2-6-12(16)14-10-15(20-19-14)13-9-11-5-1-4-8-17(11)23-18(13)22/h1-9,14,19,21H,10H2
InChIKeyOMUMOUHRFZPNJW-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.94
Rot. Bonds2

About 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one

3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one (PubChem CID 4532763) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one.

Molecular Properties

Compound Name3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
PubChem CID4532763
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NNC(c2ccccc2O)C1
InChIInChI=1S/C18H14N2O3/c21-16-7-3-2-6-12(16)14-10-15(20-19-14)13-9-11-5-1-4-8-17(11)23-18(13)22/h1-9,14,19,21H,10H2
InChIKeyOMUMOUHRFZPNJW-UHFFFAOYSA-N
XLogP2.94
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5S)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 40529928
3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 171346824
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[(5R)-5-(1,3-benzodioxol-5-yl)-3-sulfanylidene-2,4,5,6-tetrahydro-1,2,4-triazepin-7-yl]chromen-2-one
CID 7832263
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 4103570
4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742283
6-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethylchromen-2-one
CID 135653745
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 39733479
4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742266
3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one
CID 40570041

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
The IUPAC name of 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one (CID 4532763) is 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one.
What is the SMILES notation for 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
The canonical SMILES for 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one is O=c1oc2ccccc2cc1C1=NNC(c2ccccc2O)C1.
What is the InChIKey of 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
The InChIKey is OMUMOUHRFZPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-7-3-2-6-12(16)14-10-15(20-19-14)13-9-11-5-1-4-8-17(11)23-18(13)22/h1-9,14,19,21H,10H2.
What are the key properties of 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one has a molecular weight of 306.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one is sourced from PubChem (CID 4532763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).