4-chloro-1,5-dimethylpyrazol-3-amine

C5H8ClN3 — CID 19616929

IUPAC4-chloro-1,5-dimethylpyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1C
InChIInChI=1S/C5H8ClN3/c1-3-4(6)5(7)8-9(3)2/h1-2H3,(H2,7,8)
InChIKeySCZVIPXNYIVPRK-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.96
Rot. Bonds

About 4-chloro-1,5-dimethylpyrazol-3-amine

4-chloro-1,5-dimethylpyrazol-3-amine (PubChem CID 19616929) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-chloro-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1,5-dimethylpyrazol-3-amine
PubChem CID19616929
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name4-chloro-1,5-dimethylpyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1C
InChIInChI=1S/C5H8ClN3/c1-3-4(6)5(7)8-9(3)2/h1-2H3,(H2,7,8)
InChIKeySCZVIPXNYIVPRK-UHFFFAOYSA-N
XLogP0.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-chloro-1,5-dimethylpyrazol-3-amine (CID 19616929) is 4-chloro-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-chloro-1,5-dimethylpyrazol-3-amine is Cc1c(Cl)c(N)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethylpyrazol-3-amine?
The InChIKey is SCZVIPXNYIVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-3-4(6)5(7)8-9(3)2/h1-2H3,(H2,7,8).
What are the key properties of 4-chloro-1,5-dimethylpyrazol-3-amine?
4-chloro-1,5-dimethylpyrazol-3-amine has a molecular weight of 145.59 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 19616929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).