5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine

C12H11ClN4 — CID 136986292

IUPAC5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H11ClN4/c1-17-12(10(14)6-16-17)9-5-15-11-3-2-7(13)4-8(9)11/h2-6,15H,14H2,1H3
InChIKeyOMBNXVKZGMWQJF-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.80
Rot. Bonds1

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

5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine (PubChem CID 136986292) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
PubChem CID136986292
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H11ClN4/c1-17-12(10(14)6-16-17)9-5-15-11-3-2-7(13)4-8(9)11/h2-6,15H,14H2,1H3
InChIKeyOMBNXVKZGMWQJF-UHFFFAOYSA-N
XLogP2.80
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
CID 58063417
5-(4-chlorophenyl)-1-methylpyrazol-4-amine
CID 28803588
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 71101477
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
5-(2,5-dimethyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986277
5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
CID 135479895
5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole
CID 2729740
3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
CID 90829094
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine (CID 136986292) is 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine is Cn1ncc(N)c1-c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine?
The InChIKey is OMBNXVKZGMWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-17-12(10(14)6-16-17)9-5-15-11-3-2-7(13)4-8(9)11/h2-6,15H,14H2,1H3.
What are the key properties of 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine?
5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine has a molecular weight of 246.70 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 136986292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).