4-chloro-3,5-dimethyl-1H-pyrazole

C5H7ClN2 — CID 673688

IUPAC4-chloro-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cl
InChIInChI=1S/C5H7ClN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKeyJGTUBTJLRQIMAB-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.68
Rot. Bonds

About 4-chloro-3,5-dimethyl-1H-pyrazole

4-chloro-3,5-dimethyl-1H-pyrazole (PubChem CID 673688) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-1H-pyrazole
PubChem CID673688
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name4-chloro-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cl
InChIInChI=1S/C5H7ClN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKeyJGTUBTJLRQIMAB-UHFFFAOYSA-N
XLogP1.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-chloro-3,5-dimethyl-1H-pyrazole (CID 673688) is 4-chloro-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-chloro-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-1H-pyrazole?
The InChIKey is JGTUBTJLRQIMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8).
What are the key properties of 4-chloro-3,5-dimethyl-1H-pyrazole?
4-chloro-3,5-dimethyl-1H-pyrazole has a molecular weight of 130.58 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 673688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).