1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine

C13H14N4 — CID 117325598

IUPAC1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
SMILESCn1nc(-c2ccc3c(ccn3C)c2)cc1N
InChIInChI=1S/C13H14N4/c1-16-6-5-10-7-9(3-4-12(10)16)11-8-13(14)17(2)15-11/h3-8H,14H2,1-2H3
InChIKeyNBKRWZNHCGYLBN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.16
Rot. Bonds1

About 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine

1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine (PubChem CID 117325598) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
PubChem CID117325598
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
SMILESCn1nc(-c2ccc3c(ccn3C)c2)cc1N
InChIInChI=1S/C13H14N4/c1-16-6-5-10-7-9(3-4-12(10)16)11-8-13(14)17(2)15-11/h3-8H,14H2,1-2H3
InChIKeyNBKRWZNHCGYLBN-UHFFFAOYSA-N
XLogP2.16
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine (CID 117325598) is 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine is Cn1nc(-c2ccc3c(ccn3C)c2)cc1N.
What is the InChIKey of 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine?
The InChIKey is NBKRWZNHCGYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-16-6-5-10-7-9(3-4-12(10)16)11-8-13(14)17(2)15-11/h3-8H,14H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine?
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine has a molecular weight of 226.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 117325598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).