2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol

C14H24N2O — CID 141028846

IUPAC2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol
SMILESCCCc1nn(CCO)c2c1CCC(C)(C)C2
InChIInChI=1S/C14H24N2O/c1-4-5-12-11-6-7-14(2,3)10-13(11)16(15-12)8-9-17/h17H,4-10H2,1-3H3
InChIKeyDUQPBBAIKHPLQL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.34
Rot. Bonds4

About 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol

2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol (PubChem CID 141028846) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol
PubChem CID141028846
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol
SMILESCCCc1nn(CCO)c2c1CCC(C)(C)C2
InChIInChI=1S/C14H24N2O/c1-4-5-12-11-6-7-14(2,3)10-13(11)16(15-12)8-9-17/h17H,4-10H2,1-3H3
InChIKeyDUQPBBAIKHPLQL-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
3-Tert-butyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 58720021
6-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 90162162
3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole
CID 90162172
6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole
CID 90162190
2-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
CID 124137068
2-[3-(Difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]ethane-1,1-diol
CID 144506077
1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol
CID 163867657
2-[1-(2-Hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591984
2-[4-Amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82592181
2-[4-(2-Aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82592912
2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 121214608

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
The IUPAC name of 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol (CID 141028846) is 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol.
What is the SMILES notation for 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
The canonical SMILES for 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol is CCCc1nn(CCO)c2c1CCC(C)(C)C2.
What is the InChIKey of 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
The InChIKey is DUQPBBAIKHPLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-12-11-6-7-14(2,3)10-13(11)16(15-12)8-9-17/h17H,4-10H2,1-3H3.
What are the key properties of 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-3-propyl-5,7-dihydro-4H-indazol-1-yl)ethanol is sourced from PubChem (CID 141028846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).