1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine

C14H18N4 — CID 114279059

IUPAC1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine
SMILESCc1cnn(CCN2CCc3c(N)cccc32)c1
InChIInChI=1S/C14H18N4/c1-11-9-16-18(10-11)8-7-17-6-5-12-13(15)3-2-4-14(12)17/h2-4,9-10H,5-8,15H2,1H3
InChIKeyJLVIZCYQWJUGQR-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine

1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine (PubChem CID 114279059) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine.

Molecular Properties

Compound Name1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine
PubChem CID114279059
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine
SMILESCc1cnn(CCN2CCc3c(N)cccc32)c1
InChIInChI=1S/C14H18N4/c1-11-9-16-18(10-11)8-7-17-6-5-12-13(15)3-2-4-14(12)17/h2-4,9-10H,5-8,15H2,1H3
InChIKeyJLVIZCYQWJUGQR-UHFFFAOYSA-N
XLogP1.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.84
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-(3-fluoropropyl)-2,3-dihydroindol-4-amine
CID 81106114
1-(2-propylsulfonylethyl)-2,3-dihydroindol-4-amine
CID 106725995
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
CID 114930494
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493
3-bromo-2-[(4-methylpyrazol-1-yl)methyl]aniline
CID 60874411
2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
CID 114279094
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine?
The IUPAC name of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine (CID 114279059) is 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine.
What is the SMILES notation for 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine?
The canonical SMILES for 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine is Cc1cnn(CCN2CCc3c(N)cccc32)c1.
What is the InChIKey of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine?
The InChIKey is JLVIZCYQWJUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-9-16-18(10-11)8-7-17-6-5-12-13(15)3-2-4-14(12)17/h2-4,9-10H,5-8,15H2,1H3.
What are the key properties of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine?
1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine has a molecular weight of 242.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydroindol-4-amine is sourced from PubChem (CID 114279059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).