N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C15H17ClN4 — CID 78968616

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN4/c1-11(10-20-6-2-5-19-20)17-8-12-9-18-15-7-13(16)3-4-14(12)15/h2-7,9,11,17-18H,8,10H2,1H3
InChIKeyAZOGATUWQWCUDJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.20
Rot. Bonds5

About N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 78968616) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID78968616
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN4/c1-11(10-20-6-2-5-19-20)17-8-12-9-18-15-7-13(16)3-4-14(12)15/h2-7,9,11,17-18H,8,10H2,1H3
InChIKeyAZOGATUWQWCUDJ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 78968616) is N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is AZOGATUWQWCUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11(10-20-6-2-5-19-20)17-8-12-9-18-15-7-13(16)3-4-14(12)15/h2-7,9,11,17-18H,8,10H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 288.78 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 78968616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).