1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine

C15H17ClN4 — CID 114935734

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
SMILESCCn1nc(C)c(Cl)c1Cn1ccc2cccc(N)c21
InChIInChI=1S/C15H17ClN4/c1-3-20-13(14(16)10(2)18-20)9-19-8-7-11-5-4-6-12(17)15(11)19/h4-8H,3,9,17H2,1-2H3
InChIKeyUHJZBJNHWXWUJC-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.45
Rot. Bonds3

About 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine (PubChem CID 114935734) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
PubChem CID114935734
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
SMILESCCn1nc(C)c(Cl)c1Cn1ccc2cccc(N)c21
InChIInChI=1S/C15H17ClN4/c1-3-20-13(14(16)10(2)18-20)9-19-8-7-11-5-4-6-12(17)15(11)19/h4-8H,3,9,17H2,1-2H3
InChIKeyUHJZBJNHWXWUJC-UHFFFAOYSA-N
XLogP3.45
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.45
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-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
CID 116618789
1-[(4-methylphenyl)methyl]indol-7-amine
CID 114935703
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
CID 116619358
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
CID 83165952
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpyridin-2-one
CID 104505777
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indole-6-carbaldehyde
CID 102910940
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 116622694
3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one
CID 82990835
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
5,6-dichloro-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrimidin-4-one
CID 114583038
5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
CID 80501785

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine (CID 114935734) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine is CCn1nc(C)c(Cl)c1Cn1ccc2cccc(N)c21.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine?
The InChIKey is UHJZBJNHWXWUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-3-20-13(14(16)10(2)18-20)9-19-8-7-11-5-4-6-12(17)15(11)19/h4-8H,3,9,17H2,1-2H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine has a molecular weight of 288.78 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine is sourced from PubChem (CID 114935734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).