1-(3-aminopropyl)pyrazole-4,5-diamine

C6H13N5 — CID 22227390

IUPAC1-(3-aminopropyl)pyrazole-4,5-diamine
SMILESNCCCn1ncc(N)c1N
InChIInChI=1S/C6H13N5/c7-2-1-3-11-6(9)5(8)4-10-11/h4H,1-3,7-9H2
InChIKeyMOIDXWSLPOXPOD-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.60
Rot. Bonds3

About 1-(3-aminopropyl)pyrazole-4,5-diamine

1-(3-aminopropyl)pyrazole-4,5-diamine (PubChem CID 22227390) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrazole-4,5-diamine
PubChem CID22227390
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-(3-aminopropyl)pyrazole-4,5-diamine
SMILESNCCCn1ncc(N)c1N
InChIInChI=1S/C6H13N5/c7-2-1-3-11-6(9)5(8)4-10-11/h4H,1-3,7-9H2
InChIKeyMOIDXWSLPOXPOD-UHFFFAOYSA-N
XLogP-0.60
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrazole-4,5-diamine?
The IUPAC name of 1-(3-aminopropyl)pyrazole-4,5-diamine (CID 22227390) is 1-(3-aminopropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(3-aminopropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(3-aminopropyl)pyrazole-4,5-diamine is NCCCn1ncc(N)c1N.
What is the InChIKey of 1-(3-aminopropyl)pyrazole-4,5-diamine?
The InChIKey is MOIDXWSLPOXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c7-2-1-3-11-6(9)5(8)4-10-11/h4H,1-3,7-9H2.
What are the key properties of 1-(3-aminopropyl)pyrazole-4,5-diamine?
1-(3-aminopropyl)pyrazole-4,5-diamine has a molecular weight of 155.20 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 22227390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).