1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine

C7H15N5 — CID 22227389

IUPAC1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
SMILESCC(CN)Cn1ncc(N)c1N
InChIInChI=1S/C7H15N5/c1-5(2-8)4-12-7(10)6(9)3-11-12/h3,5H,2,4,8-10H2,1H3
InChIKeyDLDJPEZNQOGQDX-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.36
Rot. Bonds3

About 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine

1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine (PubChem CID 22227389) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
PubChem CID22227389
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
SMILESCC(CN)Cn1ncc(N)c1N
InChIInChI=1S/C7H15N5/c1-5(2-8)4-12-7(10)6(9)3-11-12/h3,5H,2,4,8-10H2,1H3
InChIKeyDLDJPEZNQOGQDX-UHFFFAOYSA-N
XLogP-0.36
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine?
The IUPAC name of 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine (CID 22227389) is 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine is CC(CN)Cn1ncc(N)c1N.
What is the InChIKey of 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine?
The InChIKey is DLDJPEZNQOGQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-5(2-8)4-12-7(10)6(9)3-11-12/h3,5H,2,4,8-10H2,1H3.
What are the key properties of 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine?
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 22227389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).