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

C18H17F2N3O — CID 71184882

IUPAC(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
SMILESCN(Cc1cccc(F)c1)C1=NN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17F2N3O/c1-22(12-13-4-2-6-15(19)10-13)17-8-9-23(21-17)18(24)14-5-3-7-16(20)11-14/h2-7,10-11H,8-9,12H2,1H3
InChIKeyXDTRVAPFQYEIFY-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.26
Rot. Bonds3

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

(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 71184882) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
PubChem CID71184882
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
SMILESCN(Cc1cccc(F)c1)C1=NN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17F2N3O/c1-22(12-13-4-2-6-15(19)10-13)17-8-9-23(21-17)18(24)14-5-3-7-16(20)11-14/h2-7,10-11H,8-9,12H2,1H3
InChIKeyXDTRVAPFQYEIFY-UHFFFAOYSA-N
XLogP3.26
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184896
2-[2-(3-fluorobenzoyl)-3,4-dihydropyrazol-5-yl]-N,N-dimethylbenzamide
CID 71184901
(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 136623774
(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
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 71203560
4-[(3-fluorophenyl)methyl-methylamino]-3-methylbenzoic acid
CID 62121477
3-[(3-fluorophenyl)methyl-methylamino]pyridazine-4-carboxylic acid
CID 80517596
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
[5-(2-ethynylphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 89350646

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone (CID 71184882) is (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone is CN(Cc1cccc(F)c1)C1=NN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is XDTRVAPFQYEIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-22(12-13-4-2-6-15(19)10-13)17-8-9-23(21-17)18(24)14-5-3-7-16(20)11-14/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 329.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 71184882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).