3-chloro-1-methylpyrazol-4-amine

C4H6ClN3 — CID 19768920

IUPAC3-chloro-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Cl)n1
InChIInChI=1S/C4H6ClN3/c1-8-2-3(6)4(5)7-8/h2H,6H2,1H3
InChIKeyJIDICTVNYOIKDK-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.66
Rot. Bonds

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

3-chloro-1-methylpyrazol-4-amine (PubChem CID 19768920) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 3-chloro-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-1-methylpyrazol-4-amine
PubChem CID19768920
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name3-chloro-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Cl)n1
InChIInChI=1S/C4H6ClN3/c1-8-2-3(6)4(5)7-8/h2H,6H2,1H3
InChIKeyJIDICTVNYOIKDK-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 3-chloro-1-methylpyrazol-4-amine?
The IUPAC name of 3-chloro-1-methylpyrazol-4-amine (CID 19768920) is 3-chloro-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-chloro-1-methylpyrazol-4-amine?
The canonical SMILES for 3-chloro-1-methylpyrazol-4-amine is Cn1cc(N)c(Cl)n1.
What is the InChIKey of 3-chloro-1-methylpyrazol-4-amine?
The InChIKey is JIDICTVNYOIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-8-2-3(6)4(5)7-8/h2H,6H2,1H3.
What are the key properties of 3-chloro-1-methylpyrazol-4-amine?
3-chloro-1-methylpyrazol-4-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 3-chloro-1-methylpyrazol-4-amine is sourced from PubChem (CID 19768920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).