1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole

C8H12ClN3 — CID 62784072

IUPAC1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole
SMILESCc1nn(C2CNC2)c(C)c1Cl
InChIInChI=1S/C8H12ClN3/c1-5-8(9)6(2)12(11-5)7-3-10-4-7/h7,10H,3-4H2,1-2H3
InChIKeyRXJQKLAAGUWDSP-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.30
Rot. Bonds1

About 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole

1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole (PubChem CID 62784072) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole
PubChem CID62784072
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole
SMILESCc1nn(C2CNC2)c(C)c1Cl
InChIInChI=1S/C8H12ClN3/c1-5-8(9)6(2)12(11-5)7-3-10-4-7/h7,10H,3-4H2,1-2H3
InChIKeyRXJQKLAAGUWDSP-UHFFFAOYSA-N
XLogP1.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole?
The IUPAC name of 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole (CID 62784072) is 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole is Cc1nn(C2CNC2)c(C)c1Cl.
What is the InChIKey of 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole?
The InChIKey is RXJQKLAAGUWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5-8(9)6(2)12(11-5)7-3-10-4-7/h7,10H,3-4H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole?
1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole has a molecular weight of 185.66 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-chloro-3,5-dimethylpyrazole is sourced from PubChem (CID 62784072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).