1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine

C9H17N5 — CID 131067725

IUPAC1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CN(C)C2)c1N
InChIInChI=1S/C9H17N5/c1-6-8(10)9(14(3)12-6)11-7-4-13(2)5-7/h7,11H,4-5,10H2,1-3H3
InChIKeyOGKHDAOSMSLBGL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.04
Rot. Bonds2

About 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine (PubChem CID 131067725) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine
PubChem CID131067725
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CN(C)C2)c1N
InChIInChI=1S/C9H17N5/c1-6-8(10)9(14(3)12-6)11-7-4-13(2)5-7/h7,11H,4-5,10H2,1-3H3
InChIKeyOGKHDAOSMSLBGL-UHFFFAOYSA-N
XLogP0.04
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine (CID 131067725) is 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine is Cc1nn(C)c(NC2CN(C)C2)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine?
The InChIKey is OGKHDAOSMSLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6-8(10)9(14(3)12-6)11-7-4-13(2)5-7/h7,11H,4-5,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 131067725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).