4-chloro-1-methylpyrazol-3-amine

C4H6ClN3 — CID 19616928

IUPAC4-chloro-1-methylpyrazol-3-amine
SMILESCn1cc(Cl)c(N)n1
InChIInChI=1S/C4H6ClN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7)
InChIKeyLHQLULJEAHPAHY-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.66
Rot. Bonds

About 4-chloro-1-methylpyrazol-3-amine

4-chloro-1-methylpyrazol-3-amine (PubChem CID 19616928) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-methylpyrazol-3-amine
PubChem CID19616928
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name4-chloro-1-methylpyrazol-3-amine
SMILESCn1cc(Cl)c(N)n1
InChIInChI=1S/C4H6ClN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7)
InChIKeyLHQLULJEAHPAHY-UHFFFAOYSA-N
XLogP0.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazol-3-amine?
The IUPAC name of 4-chloro-1-methylpyrazol-3-amine (CID 19616928) is 4-chloro-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-methylpyrazol-3-amine?
The canonical SMILES for 4-chloro-1-methylpyrazol-3-amine is Cn1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-methylpyrazol-3-amine?
The InChIKey is LHQLULJEAHPAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7).
What are the key properties of 4-chloro-1-methylpyrazol-3-amine?
4-chloro-1-methylpyrazol-3-amine has a molecular weight of 131.57 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazol-3-amine is sourced from PubChem (CID 19616928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).