4-chloro-3-fluoro-5-methyl-1H-pyrazole

C4H4ClFN2 — CID 14849320

IUPAC4-chloro-3-fluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(F)c1Cl
InChIInChI=1S/C4H4ClFN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyUOCTURSCHFGCON-UHFFFAOYSA-N
MW134.54 g/mol
LogP1.51
Rot. Bonds

About 4-chloro-3-fluoro-5-methyl-1H-pyrazole

4-chloro-3-fluoro-5-methyl-1H-pyrazole (PubChem CID 14849320) has the molecular formula C4H4ClFN2 and a molecular weight of 134.54 g/mol. Its IUPAC name is 4-chloro-3-fluoro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-3-fluoro-5-methyl-1H-pyrazole
PubChem CID14849320
Molecular FormulaC4H4ClFN2
Molecular Weight134.54 g/mol
Exact Mass134.00
IUPAC Name4-chloro-3-fluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(F)c1Cl
InChIInChI=1S/C4H4ClFN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeyUOCTURSCHFGCON-UHFFFAOYSA-N
XLogP1.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.54
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3,5-dimethyl-1H-pyrazole
CID 673688
4-chloro-5-methyl-1H-pyrazol-3-amine
CID 1380716
4-chloro-5-methyl-1H-pyrazol-3-amine Hydrochloride
CID 2827048
4-Fluoro-3,5-dimethyl-1H-pyrazole
CID 19382744
5-chloro-3,4-dimethyl-1H-pyrazole
CID 14849323
4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 1206965
4-Bromo-3-chloro-5-methyl-1H-pyrazole
CID 14849317
4-chloro-3,5-bis(difluoromethyl)-1H-pyrazole
CID 17024799
4-chloro-3,5-dimethyl-1H-pyrazole hydrochloride
CID 132354255
3,4-Dichloro-5-methyl-1H-pyrazole
CID 14849319
3-chloro-4-iodo-5-methyl-1H-pyrazole
CID 134890751
3,4-difluoro-5-methyl-1H-pyrazole
CID 14849321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-5-methyl-1H-pyrazole?
The IUPAC name of 4-chloro-3-fluoro-5-methyl-1H-pyrazole (CID 14849320) is 4-chloro-3-fluoro-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-3-fluoro-5-methyl-1H-pyrazole?
The canonical SMILES for 4-chloro-3-fluoro-5-methyl-1H-pyrazole is Cc1[nH]nc(F)c1Cl.
What is the InChIKey of 4-chloro-3-fluoro-5-methyl-1H-pyrazole?
The InChIKey is UOCTURSCHFGCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8).
What are the key properties of 4-chloro-3-fluoro-5-methyl-1H-pyrazole?
4-chloro-3-fluoro-5-methyl-1H-pyrazole has a molecular weight of 134.54 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-5-methyl-1H-pyrazole is sourced from PubChem (CID 14849320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).