5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine

C12H11ClN4 — CID 117369292

IUPAC5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine
SMILESCc1cc2cc(Cl)c(-c3cc(N)n[nH]3)cc2[nH]1
InChIInChI=1S/C12H11ClN4/c1-6-2-7-3-9(13)8(4-10(7)15-6)11-5-12(14)17-16-11/h2-5,15H,1H3,(H3,14,16,17)
InChIKeyOLGSBPYMRWEFLD-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.10
Rot. Bonds1

About 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine

5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine (PubChem CID 117369292) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine
PubChem CID117369292
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine
SMILESCc1cc2cc(Cl)c(-c3cc(N)n[nH]3)cc2[nH]1
InChIInChI=1S/C12H11ClN4/c1-6-2-7-3-9(13)8(4-10(7)15-6)11-5-12(14)17-16-11/h2-5,15H,1H3,(H3,14,16,17)
InChIKeyOLGSBPYMRWEFLD-UHFFFAOYSA-N
XLogP3.10
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117372435
3-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117441323
5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443278
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117333777
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
CID 43805552
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
6-chloro-5-fluoro-2-methyl-1H-indole
CID 130063681
O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine
CID 117300856
5-(7-chloro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985567
6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
CID 136968444
5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 123135474

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine (CID 117369292) is 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine is Cc1cc2cc(Cl)c(-c3cc(N)n[nH]3)cc2[nH]1.
What is the InChIKey of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine?
The InChIKey is OLGSBPYMRWEFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-6-2-7-3-9(13)8(4-10(7)15-6)11-5-12(14)17-16-11/h2-5,15H,1H3,(H3,14,16,17).
What are the key properties of 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine?
5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine has a molecular weight of 246.70 g/mol, XLogP of 3.10, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117369292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).