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

C4H6ClN3 — CID 1380716

IUPAC4-chloro-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1Cl
InChIInChI=1S/C4H6ClN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKeyFRXHUIQTYMOZLO-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.95
Rot. Bonds

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

4-chloro-5-methyl-1H-pyrazol-3-amine (PubChem CID 1380716) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 4-chloro-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-methyl-1H-pyrazol-3-amine
PubChem CID1380716
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name4-chloro-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1Cl
InChIInChI=1S/C4H6ClN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKeyFRXHUIQTYMOZLO-UHFFFAOYSA-N
XLogP0.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-chloro-5-methyl-1H-pyrazol-3-amine (CID 1380716) is 4-chloro-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-chloro-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-chloro-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1Cl.
What is the InChIKey of 4-chloro-5-methyl-1H-pyrazol-3-amine?
The InChIKey is FRXHUIQTYMOZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8).
What are the key properties of 4-chloro-5-methyl-1H-pyrazol-3-amine?
4-chloro-5-methyl-1H-pyrazol-3-amine has a molecular weight of 131.57 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 1380716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).