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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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
CID 18526375
1-methyl-1H-indazol-6-amine
CID 840433
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487911
1-(3-Methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine
CID 58483574
1H-Indazol-4-amine, 1-methyl-
CID 153838
1H-Indazole-1-ethanamine
CID 62141666
1-Methyl-N-(2-phenylethyl)-1H-pyrazole-3-methanamine
CID 7017351
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
CID 22493387
US11130748, Example 15
CID 129247090
1-ethyl-1H-indazol-6-amine
CID 12378220
1-(prop-2-en-1-yl)-1H-indazol-6-amine
CID 14461204

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).