(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone

C16H13FN2O2 — CID 136623774

IUPAC(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccccc2O)=N1
InChIInChI=1S/C16H13FN2O2/c17-12-5-3-4-11(10-12)16(21)19-9-8-14(18-19)13-6-1-2-7-15(13)20/h1-7,10,20H,8-9H2
InChIKeyNGCFDHMGBMVQGE-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.78
Rot. Bonds2

About (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone

(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 136623774) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID136623774
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccccc2O)=N1
InChIInChI=1S/C16H13FN2O2/c17-12-5-3-4-11(10-12)16(21)19-9-8-14(18-19)13-6-1-2-7-15(13)20/h1-7,10,20H,8-9H2
InChIKeyNGCFDHMGBMVQGE-UHFFFAOYSA-N
XLogP2.78
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 89350646
2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide
CID 71184901
(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
CID 71185194
(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 71203560
(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184882
[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone;(3-fluorophenyl)-[5-(3-isocyanophenyl)-3,4-dihydropyrazol-2-yl]methanone;(3-fluorophenyl)-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 159133900
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[5-[4-(4-chlorophenyl)-2-sulfanylphenyl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 136613216
(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184896
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 136623774) is (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is O=C(c1cccc(F)c1)N1CCC(c2ccccc2O)=N1.
What is the InChIKey of (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is NGCFDHMGBMVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-5-3-4-11(10-12)16(21)19-9-8-14(18-19)13-6-1-2-7-15(13)20/h1-7,10,20H,8-9H2.
What are the key properties of (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 284.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 136623774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).