5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine

C13H13ClN4 — CID 115109191

IUPAC5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1cn(C)c2cccc(Cl)c12
InChIInChI=1S/C13H13ClN4/c1-17-7-8(13-10(15)6-16-18(13)2)12-9(14)4-3-5-11(12)17/h3-7H,15H2,1-2H3
InChIKeyGKENMZPZSQQJPF-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.81
Rot. Bonds1

About 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine

5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine (PubChem CID 115109191) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine
PubChem CID115109191
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1cn(C)c2cccc(Cl)c12
InChIInChI=1S/C13H13ClN4/c1-17-7-8(13-10(15)6-16-18(13)2)12-9(14)4-3-5-11(12)17/h3-7H,15H2,1-2H3
InChIKeyGKENMZPZSQQJPF-UHFFFAOYSA-N
XLogP2.81
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-1-methylindol-3-yl)pyridin-3-amine
CID 115110648
5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
CID 58063417
5-(4-chlorophenyl)-1-methylpyrazol-4-amine
CID 28803588
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
[2-(4-chloro-1-methylindol-3-yl)phenyl]-phenylmethanol
CID 175186249
1,4-dimethylindol-3-amine
CID 89174209
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986292
5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109214
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
1-methyl-5-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 165458025

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine (CID 115109191) is 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine is Cn1ncc(N)c1-c1cn(C)c2cccc(Cl)c12.
What is the InChIKey of 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine?
The InChIKey is GKENMZPZSQQJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c1-17-7-8(13-10(15)6-16-18(13)2)12-9(14)4-3-5-11(12)17/h3-7H,15H2,1-2H3.
What are the key properties of 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine?
5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine has a molecular weight of 260.73 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylindol-3-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 115109191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).