1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine

C11H21N5 — CID 103078748

IUPAC1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
SMILESCC(CNc1nn(C)cc1N)N1CCCC1
InChIInChI=1S/C11H21N5/c1-9(16-5-3-4-6-16)7-13-11-10(12)8-15(2)14-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKEKOOSKKBILFDC-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.90
Rot. Bonds4

About 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine

1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine (PubChem CID 103078748) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
PubChem CID103078748
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
SMILESCC(CNc1nn(C)cc1N)N1CCCC1
InChIInChI=1S/C11H21N5/c1-9(16-5-3-4-6-16)7-13-11-10(12)8-15(2)14-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKEKOOSKKBILFDC-UHFFFAOYSA-N
XLogP0.90
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine (CID 103078748) is 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine is CC(CNc1nn(C)cc1N)N1CCCC1.
What is the InChIKey of 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine?
The InChIKey is KEKOOSKKBILFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9(16-5-3-4-6-16)7-13-11-10(12)8-15(2)14-11/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine?
1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).