1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine

C17H22N4 — CID 64785333

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccn(C3CCCC3)n1)CC2
InChIInChI=1S/C17H22N4/c18-14-6-5-13-7-9-20(17(13)11-14)12-15-8-10-21(19-15)16-3-1-2-4-16/h5-6,8,10-11,16H,1-4,7,9,12,18H2
InChIKeyLMHHCHONPQIWFU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 64785333) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
PubChem CID64785333
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccn(C3CCCC3)n1)CC2
InChIInChI=1S/C17H22N4/c18-14-6-5-13-7-9-20(17(13)11-14)12-15-8-10-21(19-15)16-3-1-2-4-16/h5-6,8,10-11,16H,1-4,7,9,12,18H2
InChIKeyLMHHCHONPQIWFU-UHFFFAOYSA-N
XLogP3.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine (CID 64785333) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(Cc1ccn(C3CCCC3)n1)CC2.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is LMHHCHONPQIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-14-6-5-13-7-9-20(17(13)11-14)12-15-8-10-21(19-15)16-3-1-2-4-16/h5-6,8,10-11,16H,1-4,7,9,12,18H2.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 282.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 64785333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).