1-propylpyrazole-3,5-diamine

C6H12N4 — CID 61265522

IUPAC1-propylpyrazole-3,5-diamine
SMILESCCCn1nc(N)cc1N
InChIInChI=1S/C6H12N4/c1-2-3-10-6(8)4-5(7)9-10/h4H,2-3,8H2,1H3,(H2,7,9)
InChIKeyKPRRRJQHXNDDPC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.46
Rot. Bonds2

About 1-propylpyrazole-3,5-diamine

1-propylpyrazole-3,5-diamine (PubChem CID 61265522) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-propylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-propylpyrazole-3,5-diamine
PubChem CID61265522
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-propylpyrazole-3,5-diamine
SMILESCCCn1nc(N)cc1N
InChIInChI=1S/C6H12N4/c1-2-3-10-6(8)4-5(7)9-10/h4H,2-3,8H2,1H3,(H2,7,9)
InChIKeyKPRRRJQHXNDDPC-UHFFFAOYSA-N
XLogP0.46
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylpyrazole-3,5-diamine?
The IUPAC name of 1-propylpyrazole-3,5-diamine (CID 61265522) is 1-propylpyrazole-3,5-diamine.
What is the SMILES notation for 1-propylpyrazole-3,5-diamine?
The canonical SMILES for 1-propylpyrazole-3,5-diamine is CCCn1nc(N)cc1N.
What is the InChIKey of 1-propylpyrazole-3,5-diamine?
The InChIKey is KPRRRJQHXNDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-3-10-6(8)4-5(7)9-10/h4H,2-3,8H2,1H3,(H2,7,9).
What are the key properties of 1-propylpyrazole-3,5-diamine?
1-propylpyrazole-3,5-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrazole-3,5-diamine is sourced from PubChem (CID 61265522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).