3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine

C12H11ClN4 — CID 117369283

IUPAC3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)c3cc[nH]c3c2)cc1N
InChIInChI=1S/C12H11ClN4/c1-17-12(14)6-10(16-17)7-4-9(13)8-2-3-15-11(8)5-7/h2-6,15H,14H2,1H3
InChIKeyISNGUKRFRHZFJI-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.80
Rot. Bonds1

About 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine

3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine (PubChem CID 117369283) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
PubChem CID117369283
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)c3cc[nH]c3c2)cc1N
InChIInChI=1S/C12H11ClN4/c1-17-12(14)6-10(16-17)7-4-9(13)8-2-3-15-11(8)5-7/h2-6,15H,14H2,1H3
InChIKeyISNGUKRFRHZFJI-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine (CID 117369283) is 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc(Cl)c3cc[nH]c3c2)cc1N.
What is the InChIKey of 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is ISNGUKRFRHZFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-17-12(14)6-10(16-17)7-4-9(13)8-2-3-15-11(8)5-7/h2-6,15H,14H2,1H3.
What are the key properties of 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-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 3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).