[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol

C17H21N3O — CID 66398439

IUPAC[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol
SMILESCCC(C)n1ccc(Cn2cc(CO)c3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-3-13(2)20-9-8-15(18-20)11-19-10-14(12-21)16-6-4-5-7-17(16)19/h4-10,13,21H,3,11-12H2,1-2H3
InChIKeyRQSWCPJDZXKEPN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.35
Rot. Bonds5

About [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol

[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol (PubChem CID 66398439) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol
PubChem CID66398439
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol
SMILESCCC(C)n1ccc(Cn2cc(CO)c3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-3-13(2)20-9-8-15(18-20)11-19-10-14(12-21)16-6-4-5-7-17(16)19/h4-10,13,21H,3,11-12H2,1-2H3
InChIKeyRQSWCPJDZXKEPN-UHFFFAOYSA-N
XLogP3.35
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol (CID 66398439) is [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol is CCC(C)n1ccc(Cn2cc(CO)c3ccccc32)n1.
What is the InChIKey of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol?
The InChIKey is RQSWCPJDZXKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-13(2)20-9-8-15(18-20)11-19-10-14(12-21)16-6-4-5-7-17(16)19/h4-10,13,21H,3,11-12H2,1-2H3.
What are the key properties of [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol?
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol has a molecular weight of 283.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-butan-2-ylpyrazol-3-yl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66398439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).