1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine

C9H16N4 — CID 115015718

IUPAC1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine
SMILESCn1nc(C2(C)CCCN2)cc1N
InChIInChI=1S/C9H16N4/c1-9(4-3-5-11-9)7-6-8(10)13(2)12-7/h6,11H,3-5,10H2,1-2H3
InChIKeyNORONQVAKUIKJB-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine

1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine (PubChem CID 115015718) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine
PubChem CID115015718
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine
SMILESCn1nc(C2(C)CCCN2)cc1N
InChIInChI=1S/C9H16N4/c1-9(4-3-5-11-9)7-6-8(10)13(2)12-7/h6,11H,3-5,10H2,1-2H3
InChIKeyNORONQVAKUIKJB-UHFFFAOYSA-N
XLogP0.60
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine (CID 115015718) is 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine is Cn1nc(C2(C)CCCN2)cc1N.
What is the InChIKey of 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine?
The InChIKey is NORONQVAKUIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(4-3-5-11-9)7-6-8(10)13(2)12-7/h6,11H,3-5,10H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine?
1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine has a molecular weight of 180.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpyrrolidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 115015718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).