2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide

C19H18FN3O2 — CID 71184901

IUPAC2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C1=NN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22(2)19(25)16-9-4-3-8-15(16)17-10-11-23(21-17)18(24)13-6-5-7-14(20)12-13/h3-9,12H,10-11H2,1-2H3
InChIKeyYCPSZGNFMWQPLJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.78
Rot. Bonds3

About 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide

2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide (PubChem CID 71184901) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide
PubChem CID71184901
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C1=NN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22(2)19(25)16-9-4-3-8-15(16)17-10-11-23(21-17)18(24)13-6-5-7-14(20)12-13/h3-9,12H,10-11H2,1-2H3
InChIKeyYCPSZGNFMWQPLJ-UHFFFAOYSA-N
XLogP2.78
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
(3-fluorophenyl)-(5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
CID 71185194
(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184882
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 71203560
[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-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184896
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide (CID 71184901) is 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1C1=NN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide?
The InChIKey is YCPSZGNFMWQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22(2)19(25)16-9-4-3-8-15(16)17-10-11-23(21-17)18(24)13-6-5-7-14(20)12-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide?
2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 71184901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).