2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine

C8H16N4 — CID 103542631

IUPAC2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ccnn1C
InChIInChI=1S/C8H16N4/c1-7(5-9)6-10-8-3-4-11-12(8)2/h3-4,7,10H,5-6,9H2,1-2H3
InChIKeyFBAIFRQHCPHEDD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine

2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine (PubChem CID 103542631) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
PubChem CID103542631
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ccnn1C
InChIInChI=1S/C8H16N4/c1-7(5-9)6-10-8-3-4-11-12(8)2/h3-4,7,10H,5-6,9H2,1-2H3
InChIKeyFBAIFRQHCPHEDD-UHFFFAOYSA-N
XLogP0.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine (CID 103542631) is 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine is CC(CN)CNc1ccnn1C.
What is the InChIKey of 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
The InChIKey is FBAIFRQHCPHEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(5-9)6-10-8-3-4-11-12(8)2/h3-4,7,10H,5-6,9H2,1-2H3.
What are the key properties of 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 103542631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).