1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine

C13H19N5 — CID 66019219

IUPAC1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2ccccn2)c1N
InChIInChI=1S/C13H19N5/c1-3-6-11-12(14)13(18(2)17-11)16-9-10-7-4-5-8-15-10/h4-5,7-8,16H,3,6,9,14H2,1-2H3
InChIKeyGTJGRWCUPLMLGV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.96
Rot. Bonds5

About 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine

1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66019219) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
PubChem CID66019219
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2ccccn2)c1N
InChIInChI=1S/C13H19N5/c1-3-6-11-12(14)13(18(2)17-11)16-9-10-7-4-5-8-15-10/h4-5,7-8,16H,3,6,9,14H2,1-2H3
InChIKeyGTJGRWCUPLMLGV-UHFFFAOYSA-N
XLogP1.96
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine (CID 66019219) is 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine is CCCc1nn(C)c(NCc2ccccn2)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is GTJGRWCUPLMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-6-11-12(14)13(18(2)17-11)16-9-10-7-4-5-8-15-10/h4-5,7-8,16H,3,6,9,14H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66019219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).