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

C19H20FN3O2 — CID 71184896

IUPAC(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(CN(C)C2=NN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-22(13-14-5-3-8-17(11-14)25-2)18-9-10-23(21-18)19(24)15-6-4-7-16(20)12-15/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyTXABTDBOSRUULB-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.13
Rot. Bonds4

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

(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 71184896) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
PubChem CID71184896
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(CN(C)C2=NN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-22(13-14-5-3-8-17(11-14)25-2)18-9-10-23(21-18)19(24)15-6-4-7-16(20)12-15/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyTXABTDBOSRUULB-UHFFFAOYSA-N
XLogP3.13
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[5-[(3-fluorophenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone
CID 71184882
(3-fluorophenyl)-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 71203455
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
(3-fluorophenyl)-[5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 136623774

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone (CID 71184896) is (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone is COc1cccc(CN(C)C2=NN(C(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is TXABTDBOSRUULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-22(13-14-5-3-8-17(11-14)25-2)18-9-10-23(21-18)19(24)15-6-4-7-16(20)12-15/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone?
(3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 341.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[5-[(3-methoxyphenyl)methyl-methylamino]-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 71184896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).