[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine

C16H20N4 — CID 64799410

IUPAC[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine
SMILESCC(C)n1ccc(Cn2c(CN)cc3ccccc32)n1
InChIInChI=1S/C16H20N4/c1-12(2)20-8-7-14(18-20)11-19-15(10-17)9-13-5-3-4-6-16(13)19/h3-9,12H,10-11,17H2,1-2H3
InChIKeyFEFWMIKDQJLPJU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.93
Rot. Bonds4

About [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine (PubChem CID 64799410) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine
PubChem CID64799410
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine
SMILESCC(C)n1ccc(Cn2c(CN)cc3ccccc32)n1
InChIInChI=1S/C16H20N4/c1-12(2)20-8-7-14(18-20)11-19-15(10-17)9-13-5-3-4-6-16(13)19/h3-9,12H,10-11,17H2,1-2H3
InChIKeyFEFWMIKDQJLPJU-UHFFFAOYSA-N
XLogP2.93
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine?
The IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine (CID 64799410) is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine.
What is the SMILES notation for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine?
The canonical SMILES for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine is CC(C)n1ccc(Cn2c(CN)cc3ccccc32)n1.
What is the InChIKey of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine?
The InChIKey is FEFWMIKDQJLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12(2)20-8-7-14(18-20)11-19-15(10-17)9-13-5-3-4-6-16(13)19/h3-9,12H,10-11,17H2,1-2H3.
What are the key properties of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine?
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine is sourced from PubChem (CID 64799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).