4-chloro-5-ethyl-1H-pyrazol-3-amine

C5H8ClN3 — CID 83905006

IUPAC4-chloro-5-ethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1Cl
InChIInChI=1S/C5H8ClN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKeyIIUNYGKLDIWTDR-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.21
Rot. Bonds1

About 4-chloro-5-ethyl-1H-pyrazol-3-amine

4-chloro-5-ethyl-1H-pyrazol-3-amine (PubChem CID 83905006) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-ethyl-1H-pyrazol-3-amine
PubChem CID83905006
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name4-chloro-5-ethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1Cl
InChIInChI=1S/C5H8ClN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKeyIIUNYGKLDIWTDR-UHFFFAOYSA-N
XLogP1.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-ethyl-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 4-chloro-5-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-chloro-5-ethyl-1H-pyrazol-3-amine (CID 83905006) is 4-chloro-5-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-chloro-5-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-chloro-5-ethyl-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1Cl.
What is the InChIKey of 4-chloro-5-ethyl-1H-pyrazol-3-amine?
The InChIKey is IIUNYGKLDIWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9).
What are the key properties of 4-chloro-5-ethyl-1H-pyrazol-3-amine?
4-chloro-5-ethyl-1H-pyrazol-3-amine has a molecular weight of 145.59 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 83905006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).