5-benzyl-1H-pyrazol-3-amine

C10H11N3 — CID 22241660

IUPAC5-benzyl-1H-pyrazol-3-amine
SMILESNc1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C10H11N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13)
InChIKeyVEPHCDGFBYQNGE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.58
Rot. Bonds2

About 5-benzyl-1H-pyrazol-3-amine

5-benzyl-1H-pyrazol-3-amine (PubChem CID 22241660) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-benzyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-benzyl-1H-pyrazol-3-amine
PubChem CID22241660
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-benzyl-1H-pyrazol-3-amine
SMILESNc1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C10H11N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13)
InChIKeyVEPHCDGFBYQNGE-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-1H-pyrazol-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 5-benzyl-1H-pyrazol-3-amine?
The IUPAC name of 5-benzyl-1H-pyrazol-3-amine (CID 22241660) is 5-benzyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-benzyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-benzyl-1H-pyrazol-3-amine is Nc1cc(Cc2ccccc2)[nH]n1.
What is the InChIKey of 5-benzyl-1H-pyrazol-3-amine?
The InChIKey is VEPHCDGFBYQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13).
What are the key properties of 5-benzyl-1H-pyrazol-3-amine?
5-benzyl-1H-pyrazol-3-amine has a molecular weight of 173.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-pyrazol-3-amine is sourced from PubChem (CID 22241660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).