5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine

C6H9N3 — CID 90117477

IUPAC5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC/C=C/c1cc(N)n[nH]1
InChIInChI=1S/C6H9N3/c1-2-3-5-4-6(7)9-8-5/h2-4H,1H3,(H3,7,8,9)/b3-2+
InChIKeyFBUBAVHSSYTZFS-NSCUHMNNSA-N
MW123.16 g/mol
LogP1.02
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine

5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 90117477) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
PubChem CID90117477
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC/C=C/c1cc(N)n[nH]1
InChIInChI=1S/C6H9N3/c1-2-3-5-4-6(7)9-8-5/h2-4H,1H3,(H3,7,8,9)/b3-2+
InChIKeyFBUBAVHSSYTZFS-NSCUHMNNSA-N
XLogP1.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-prop-1-enyl]-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-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine (CID 90117477) is 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine is C/C=C/c1cc(N)n[nH]1.
What is the InChIKey of 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is FBUBAVHSSYTZFS-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-5-4-6(7)9-8-5/h2-4H,1H3,(H3,7,8,9)/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine?
5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 123.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 90117477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).