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

C17H25N3O — CID 62038993

IUPAC6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1[nH]ncc1CCCn1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C17H25N3O/c1-12-13(11-18-19-12)5-4-7-20-8-6-14-15(20)9-17(2,3)10-16(14)21/h6,8,11,16,21H,4-5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyKLXMDHRYUBSZAQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.16
Rot. Bonds4

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

6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol (PubChem CID 62038993) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol
PubChem CID62038993
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1[nH]ncc1CCCn1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C17H25N3O/c1-12-13(11-18-19-12)5-4-7-20-8-6-14-15(20)9-17(2,3)10-16(14)21/h6,8,11,16,21H,4-5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyKLXMDHRYUBSZAQ-UHFFFAOYSA-N
XLogP3.16
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol (CID 62038993) is 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol is Cc1[nH]ncc1CCCn1ccc2c1CC(C)(C)CC2O.
What is the InChIKey of 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol?
The InChIKey is KLXMDHRYUBSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-13(11-18-19-12)5-4-7-20-8-6-14-15(20)9-17(2,3)10-16(14)21/h6,8,11,16,21H,4-5,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol?
6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol has a molecular weight of 287.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 62038993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).