3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one

C19H21N3O3 — CID 46364370

IUPAC3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C19H21N3O3/c1-13-18-16(3-2-4-17(18)23)22(20-13)15-7-5-14(6-8-15)19(24)21-9-11-25-12-10-21/h5-8H,2-4,9-12H2,1H3
InChIKeyZCYVBJCZWCMPHY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.17
Rot. Bonds2

About 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one

3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one (PubChem CID 46364370) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one
PubChem CID46364370
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c2c1C(=O)CCC2
InChIInChI=1S/C19H21N3O3/c1-13-18-16(3-2-4-17(18)23)22(20-13)15-7-5-14(6-8-15)19(24)21-9-11-25-12-10-21/h5-8H,2-4,9-12H2,1H3
InChIKeyZCYVBJCZWCMPHY-UHFFFAOYSA-N
XLogP2.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 46364376
3-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 82590947
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
CID 46364384
1-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 46364400
[4-[8-(4-chlorophenyl)-3-methylpyrazolo[4,3-c]quinolin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 134438324
1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 1090180
methyl 4-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]benzoate
CID 110458760
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66953026

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one (CID 46364370) is 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccc(C(=O)N3CCOCC3)cc2)c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZCYVBJCZWCMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-18-16(3-2-4-17(18)23)22(20-13)15-7-5-14(6-8-15)19(24)21-9-11-25-12-10-21/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one?
3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one has a molecular weight of 339.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(morpholine-4-carbonyl)phenyl]-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 46364370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).