2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol

C18H21N3O — CID 11173952

IUPAC2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2CCO)cc1
InChIInChI=1S/C18H21N3O/c1-18(2,19)13-5-3-12(4-6-13)14-7-8-17-16(11-20-21-17)15(14)9-10-22/h3-8,11,22H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyYFMNOQWWQINBIA-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol

2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol (PubChem CID 11173952) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
PubChem CID11173952
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2CCO)cc1
InChIInChI=1S/C18H21N3O/c1-18(2,19)13-5-3-12(4-6-13)14-7-8-17-16(11-20-21-17)15(14)9-10-22/h3-8,11,22H,9-10,19H2,1-2H3,(H,20,21)
InChIKeyYFMNOQWWQINBIA-UHFFFAOYSA-N
XLogP2.96
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
CID 11243390
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
CID 23134481
N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
CID 23134486
ethyl 3-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propanoate
CID 11152674
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
2-[6-[4-(cyclopropylmethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
CID 11163064
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134569
3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride
CID 23134608
[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine
CID 88853431
4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile
CID 11425869

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol?
The IUPAC name of 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol (CID 11173952) is 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol?
The canonical SMILES for 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol is CC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2CCO)cc1.
What is the InChIKey of 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol?
The InChIKey is YFMNOQWWQINBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,19)13-5-3-12(4-6-13)14-7-8-17-16(11-20-21-17)15(14)9-10-22/h3-8,11,22H,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol?
2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol has a molecular weight of 295.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol is sourced from PubChem (CID 11173952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).