1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine

C16H21ClN4 — CID 114456721

IUPAC1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine
SMILESCCc1nn(CC)c(CN2CCc3cccc(N)c32)c1Cl
InChIInChI=1S/C16H21ClN4/c1-3-13-15(17)14(21(4-2)19-13)10-20-9-8-11-6-5-7-12(18)16(11)20/h5-7H,3-4,8-10,18H2,1-2H3
InChIKeySBTKTRBFQZJCLZ-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.26
Rot. Bonds4

About 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine

1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine (PubChem CID 114456721) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine
PubChem CID114456721
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine
SMILESCCc1nn(CC)c(CN2CCc3cccc(N)c32)c1Cl
InChIInChI=1S/C16H21ClN4/c1-3-13-15(17)14(21(4-2)19-13)10-20-9-8-11-6-5-7-12(18)16(11)20/h5-7H,3-4,8-10,18H2,1-2H3
InChIKeySBTKTRBFQZJCLZ-UHFFFAOYSA-N
XLogP3.26
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.26
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

1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
CID 106994975
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456381
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501306
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine
CID 117217840
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylsulfanyl]-4-methylaniline
CID 79142466
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine
CID 66406268
1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456230
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine (CID 114456721) is 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine is CCc1nn(CC)c(CN2CCc3cccc(N)c32)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine?
The InChIKey is SBTKTRBFQZJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-13-15(17)14(21(4-2)19-13)10-20-9-8-11-6-5-7-12(18)16(11)20/h5-7H,3-4,8-10,18H2,1-2H3.
What are the key properties of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine?
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine has a molecular weight of 304.83 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).