4-chloro-5-fluoro-1,3-dimethylpyrazole

C5H6ClFN2 — CID 170913532

IUPAC4-chloro-5-fluoro-1,3-dimethylpyrazole
SMILESCc1nn(C)c(F)c1Cl
InChIInChI=1S/C5H6ClFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyNADRXWWJFJCTTF-UHFFFAOYSA-N
MW148.57 g/mol
LogP1.52
Rot. Bonds

About 4-chloro-5-fluoro-1,3-dimethylpyrazole

4-chloro-5-fluoro-1,3-dimethylpyrazole (PubChem CID 170913532) has the molecular formula C5H6ClFN2 and a molecular weight of 148.57 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-fluoro-1,3-dimethylpyrazole
PubChem CID170913532
Molecular FormulaC5H6ClFN2
Molecular Weight148.57 g/mol
Exact Mass148.02
IUPAC Name4-chloro-5-fluoro-1,3-dimethylpyrazole
SMILESCc1nn(C)c(F)c1Cl
InChIInChI=1S/C5H6ClFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyNADRXWWJFJCTTF-UHFFFAOYSA-N
XLogP1.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.57
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-(5-fluoro-1,3-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole
CID 132608963
4-chloro-1,3-dimethylpyrazol-5-olate
CID 147232015
4-chloro-1,3-dimethylpyrazole-5-carbaldehyde
CID 50896588
4-chloro-5-fluoro-1-methylpyrazole-3-carboxylic acid
CID 170913368
5-chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115564330
4-chloro-1,3-dimethylpyrazole-5-carboxylate
CID 4744006
5-bromo-4-chloro-3-fluoro-2-methylindazole
CID 164860407
5-chloro-1,3,4-trimethylpyrazole;ethane
CID 143473362
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
1-[1-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]cyclopropan-1-amine
CID 83909897
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropyl-N-methylmethanamine
CID 83835443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1,3-dimethylpyrazole?
The IUPAC name of 4-chloro-5-fluoro-1,3-dimethylpyrazole (CID 170913532) is 4-chloro-5-fluoro-1,3-dimethylpyrazole.
What is the SMILES notation for 4-chloro-5-fluoro-1,3-dimethylpyrazole?
The canonical SMILES for 4-chloro-5-fluoro-1,3-dimethylpyrazole is Cc1nn(C)c(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-1,3-dimethylpyrazole?
The InChIKey is NADRXWWJFJCTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3.
What are the key properties of 4-chloro-5-fluoro-1,3-dimethylpyrazole?
4-chloro-5-fluoro-1,3-dimethylpyrazole has a molecular weight of 148.57 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1,3-dimethylpyrazole is sourced from PubChem (CID 170913532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).