1-propan-2-ylpyrazole-4,5-diamine

C6H12N4 — CID 15825513

IUPAC1-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)n1ncc(N)c1N
InChIInChI=1S/C6H12N4/c1-4(2)10-6(8)5(7)3-9-10/h3-4H,7-8H2,1-2H3
InChIKeyDAWNEUSXWHZHRZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.63
Rot. Bonds1

About 1-propan-2-ylpyrazole-4,5-diamine

1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 15825513) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-propan-2-ylpyrazole-4,5-diamine
PubChem CID15825513
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)n1ncc(N)c1N
InChIInChI=1S/C6H12N4/c1-4(2)10-6(8)5(7)3-9-10/h3-4H,7-8H2,1-2H3
InChIKeyDAWNEUSXWHZHRZ-UHFFFAOYSA-N
XLogP0.63
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-propan-2-ylpyrazole-4,5-diamine (CID 15825513) is 1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-propan-2-ylpyrazole-4,5-diamine is CC(C)n1ncc(N)c1N.
What is the InChIKey of 1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is DAWNEUSXWHZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(2)10-6(8)5(7)3-9-10/h3-4H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-ylpyrazole-4,5-diamine?
1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 15825513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).