(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone

C20H24FN3O2 — CID 55984183

IUPAC(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCC1(C)COCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C20H24FN3O2/c1-20(2)13-26-12-11-23(20)19(25)18-16-5-3-4-6-17(16)24(22-18)15-9-7-14(21)8-10-15/h7-10H,3-6,11-13H2,1-2H3
InChIKeyNAQGXISOISNQKE-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.14
Rot. Bonds2

About (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone

(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 55984183) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
PubChem CID55984183
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCC1(C)COCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C20H24FN3O2/c1-20(2)13-26-12-11-23(20)19(25)18-16-5-3-4-6-17(16)24(22-18)15-9-7-14(21)8-10-15/h7-10H,3-6,11-13H2,1-2H3
InChIKeyNAQGXISOISNQKE-UHFFFAOYSA-N
XLogP3.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 119216827
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671541
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597209
N-(2-bromo-4-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581206
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
(3aR,6aS)-5-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 128596945
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24660925
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16599689

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 55984183) is (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone is CC1(C)COCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The InChIKey is NAQGXISOISNQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-20(2)13-26-12-11-23(20)19(25)18-16-5-3-4-6-17(16)24(22-18)15-9-7-14(21)8-10-15/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 55984183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).