1,4-diethylpyrazol-3-amine

C7H13N3 — CID 19002206

IUPAC1,4-diethylpyrazol-3-amine
SMILESCCc1cn(CC)nc1N
InChIInChI=1S/C7H13N3/c1-3-6-5-10(4-2)9-7(6)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyBWFDAUBSXANSJE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.05
Rot. Bonds2

About 1,4-diethylpyrazol-3-amine

1,4-diethylpyrazol-3-amine (PubChem CID 19002206) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,4-diethylpyrazol-3-amine.

Molecular Properties

Compound Name1,4-diethylpyrazol-3-amine
PubChem CID19002206
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,4-diethylpyrazol-3-amine
SMILESCCc1cn(CC)nc1N
InChIInChI=1S/C7H13N3/c1-3-6-5-10(4-2)9-7(6)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyBWFDAUBSXANSJE-UHFFFAOYSA-N
XLogP1.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-diethylpyrazol-3-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 1,4-diethylpyrazol-3-amine?
The IUPAC name of 1,4-diethylpyrazol-3-amine (CID 19002206) is 1,4-diethylpyrazol-3-amine.
What is the SMILES notation for 1,4-diethylpyrazol-3-amine?
The canonical SMILES for 1,4-diethylpyrazol-3-amine is CCc1cn(CC)nc1N.
What is the InChIKey of 1,4-diethylpyrazol-3-amine?
The InChIKey is BWFDAUBSXANSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-6-5-10(4-2)9-7(6)8/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 1,4-diethylpyrazol-3-amine?
1,4-diethylpyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpyrazol-3-amine is sourced from PubChem (CID 19002206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).