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

C18H13FN2O — CID 89350646

IUPAC[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESC#Cc1ccccc1C1=NN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H13FN2O/c1-2-13-6-3-4-9-16(13)17-10-11-21(20-17)18(22)14-7-5-8-15(19)12-14/h1,3-9,12H,10-11H2
InChIKeyOQKUTCIWELXBPW-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.06
Rot. Bonds2

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

[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 89350646) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
PubChem CID89350646
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESC#Cc1ccccc1C1=NN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H13FN2O/c1-2-13-6-3-4-9-16(13)17-10-11-21(20-17)18(22)14-7-5-8-15(19)12-14/h1,3-9,12H,10-11H2
InChIKeyOQKUTCIWELXBPW-UHFFFAOYSA-N
XLogP3.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 136623774
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
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[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
[5-[4-(4-chlorophenyl)-2-sulfanylphenyl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 136613216
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184896

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (CID 89350646) is [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is C#Cc1ccccc1C1=NN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is OQKUTCIWELXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-2-13-6-3-4-9-16(13)17-10-11-21(20-17)18(22)14-7-5-8-15(19)12-14/h1,3-9,12H,10-11H2.
What are the key properties of [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 292.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 89350646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).