(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone

C14H11FN2OS — CID 71185194

IUPAC(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccsc2)=N1
InChIInChI=1S/C14H11FN2OS/c15-12-3-1-2-10(8-12)14(18)17-6-4-13(16-17)11-5-7-19-9-11/h1-3,5,7-9H,4,6H2
InChIKeyNHANZFCYWTVUSD-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.14
Rot. Bonds2

About (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone

(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 71185194) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID71185194
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccsc2)=N1
InChIInChI=1S/C14H11FN2OS/c15-12-3-1-2-10(8-12)14(18)17-6-4-13(16-17)11-5-7-19-9-11/h1-3,5,7-9H,4,6H2
InChIKeyNHANZFCYWTVUSD-UHFFFAOYSA-N
XLogP3.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 136623774
[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 89350646
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 71203560
2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide
CID 71184901
[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
(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184882
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184896
(3aS,6aR)-1-(3-fluorobenzoyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97386390
(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
CID 10780550
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone (CID 71185194) is (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1cccc(F)c1)N1CCC(c2ccsc2)=N1.
What is the InChIKey of (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is NHANZFCYWTVUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-12-3-1-2-10(8-12)14(18)17-6-4-13(16-17)11-5-7-19-9-11/h1-3,5,7-9H,4,6H2.
What are the key properties of (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone?
(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 71185194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).