2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C19H20FN3O — CID 26514033

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCN(CC(=O)N1CCC(c2ccccc2)=N1)Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O/c1-22(13-15-6-5-9-17(20)12-15)14-19(24)23-11-10-18(21-23)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3
InChIKeyAGMLDNAYJHCZHS-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 26514033) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID26514033
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCN(CC(=O)N1CCC(c2ccccc2)=N1)Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O/c1-22(13-15-6-5-9-17(20)12-15)14-19(24)23-11-10-18(21-23)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3
InChIKeyAGMLDNAYJHCZHS-UHFFFAOYSA-N
XLogP2.89
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 8810512
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 8908808
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26508107
1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 8909124
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473
(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184882
2-[benzyl(methyl)amino]-1-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46031397
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-amino-6-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824281
[5-(1-benzylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 71203560
2-(4-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]anilino)-1-piperidin-1-ylethanone
CID 86906124

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 26514033) is 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CN(CC(=O)N1CCC(c2ccccc2)=N1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is AGMLDNAYJHCZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-22(13-15-6-5-9-17(20)12-15)14-19(24)23-11-10-18(21-23)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 325.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 26514033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).