N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

C15H17ClN4 — CID 106104325

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CCNCc2[nH]c3ccccc3c2Cl)n1
InChIInChI=1S/C15H17ClN4/c1-20-9-7-11(19-20)6-8-17-10-14-15(16)12-4-2-3-5-13(12)18-14/h2-5,7,9,17-18H,6,8,10H2,1H3
InChIKeyBYLNQGNTBKIOLP-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 106104325) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID106104325
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CCNCc2[nH]c3ccccc3c2Cl)n1
InChIInChI=1S/C15H17ClN4/c1-20-9-7-11(19-20)6-8-17-10-14-15(16)12-4-2-3-5-13(12)18-14/h2-5,7,9,17-18H,6,8,10H2,1H3
InChIKeyBYLNQGNTBKIOLP-UHFFFAOYSA-N
XLogP2.89
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
7-Chloro-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 829981
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
3-Chloro-1H-indole
CID 177790
N,N-dimethyl-2-[5-(triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 10333305
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)pyridazin-3-yl]-1H-indole
CID 134399462
6-Chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453860
8-Chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453861
3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 136199388
2-[[1-(2-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756420
2-[[1-(4-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756424

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 106104325) is N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CCNCc2[nH]c3ccccc3c2Cl)n1.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is BYLNQGNTBKIOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-20-9-7-11(19-20)6-8-17-10-14-15(16)12-4-2-3-5-13(12)18-14/h2-5,7,9,17-18H,6,8,10H2,1H3.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 288.78 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106104325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).