1-(1H-pyrazol-4-yl)propan-2-amine

C6H11N3 — CID 83872198

IUPAC1-(1H-pyrazol-4-yl)propan-2-amine
SMILESCC(N)Cc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-5(7)2-6-3-8-9-4-6/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyBJHXFXZRIMEDER-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.30
Rot. Bonds2

About 1-(1H-pyrazol-4-yl)propan-2-amine

1-(1H-pyrazol-4-yl)propan-2-amine (PubChem CID 83872198) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)propan-2-amine
PubChem CID83872198
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(1H-pyrazol-4-yl)propan-2-amine
SMILESCC(N)Cc1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-5(7)2-6-3-8-9-4-6/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyBJHXFXZRIMEDER-UHFFFAOYSA-N
XLogP0.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1H-pyrazol-4-yl)propan-2-amine 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-(1H-pyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1H-pyrazol-4-yl)propan-2-amine (CID 83872198) is 1-(1H-pyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1H-pyrazol-4-yl)propan-2-amine is CC(N)Cc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)propan-2-amine?
The InChIKey is BJHXFXZRIMEDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7)2-6-3-8-9-4-6/h3-5H,2,7H2,1H3,(H,8,9).
What are the key properties of 1-(1H-pyrazol-4-yl)propan-2-amine?
1-(1H-pyrazol-4-yl)propan-2-amine has a molecular weight of 125.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 83872198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).