1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

C17H25N3O — CID 115991594

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCCc1nn(C)cc1Cn1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C17H25N3O/c1-5-14-12(10-19(4)18-14)11-20-7-6-13-15(20)8-17(2,3)9-16(13)21/h6-7,10,16,21H,5,8-9,11H2,1-4H3
InChIKeyBMQJRVOXYWPYIO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.84
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 115991594) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID115991594
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCCc1nn(C)cc1Cn1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C17H25N3O/c1-5-14-12(10-19(4)18-14)11-20-7-6-13-15(20)8-17(2,3)9-16(13)21/h6-7,10,16,21H,5,8-9,11H2,1-4H3
InChIKeyBMQJRVOXYWPYIO-UHFFFAOYSA-N
XLogP2.84
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol with MolForge

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 107464600
6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol
CID 62038993
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
6,6-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine
CID 55206124
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955
4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
CID 106188082
6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
CID 81177185
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 112550364
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106579477
1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464993
1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466784

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (CID 115991594) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is CCc1nn(C)cc1Cn1ccc2c1CC(C)(C)CC2O.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is BMQJRVOXYWPYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14-12(10-19(4)18-14)11-20-7-6-13-15(20)8-17(2,3)9-16(13)21/h6-7,10,16,21H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 287.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 115991594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).