4-chloropyrazol-1-amine

C3H4ClN3 — CID 13133629

IUPAC4-chloropyrazol-1-amine
SMILESNn1cc(Cl)cn1
InChIInChI=1S/C3H4ClN3/c4-3-1-6-7(5)2-3/h1-2H,5H2
InChIKeyRVNOOGCCJJKVHR-UHFFFAOYSA-N
MW117.54 g/mol
LogP0.25
Rot. Bonds

About 4-chloropyrazol-1-amine

4-chloropyrazol-1-amine (PubChem CID 13133629) has the molecular formula C3H4ClN3 and a molecular weight of 117.54 g/mol. Its IUPAC name is 4-chloropyrazol-1-amine.

Molecular Properties

Compound Name4-chloropyrazol-1-amine
PubChem CID13133629
Molecular FormulaC3H4ClN3
Molecular Weight117.54 g/mol
Exact Mass117.01
IUPAC Name4-chloropyrazol-1-amine
SMILESNn1cc(Cl)cn1
InChIInChI=1S/C3H4ClN3/c4-3-1-6-7(5)2-3/h1-2H,5H2
InChIKeyRVNOOGCCJJKVHR-UHFFFAOYSA-N
XLogP0.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.54
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyrazol-1-amine?
The IUPAC name of 4-chloropyrazol-1-amine (CID 13133629) is 4-chloropyrazol-1-amine.
What is the SMILES notation for 4-chloropyrazol-1-amine?
The canonical SMILES for 4-chloropyrazol-1-amine is Nn1cc(Cl)cn1.
What is the InChIKey of 4-chloropyrazol-1-amine?
The InChIKey is RVNOOGCCJJKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClN3/c4-3-1-6-7(5)2-3/h1-2H,5H2.
What are the key properties of 4-chloropyrazol-1-amine?
4-chloropyrazol-1-amine has a molecular weight of 117.54 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrazol-1-amine is sourced from PubChem (CID 13133629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).