4-chloro-1-(difluoromethyl)-5-ethylpyrazole

C6H7ClF2N2 — CID 167201235

IUPAC4-chloro-1-(difluoromethyl)-5-ethylpyrazole
SMILESCCc1c(Cl)cnn1C(F)F
InChIInChI=1S/C6H7ClF2N2/c1-2-5-4(7)3-10-11(5)6(8)9/h3,6H,2H2,1H3
InChIKeyWRMWLQVIRPGSSE-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.49
Rot. Bonds2

About 4-chloro-1-(difluoromethyl)-5-ethylpyrazole

4-chloro-1-(difluoromethyl)-5-ethylpyrazole (PubChem CID 167201235) has the molecular formula C6H7ClF2N2 and a molecular weight of 180.59 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-5-ethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-5-ethylpyrazole
PubChem CID167201235
Molecular FormulaC6H7ClF2N2
Molecular Weight180.59 g/mol
Exact Mass180.03
IUPAC Name4-chloro-1-(difluoromethyl)-5-ethylpyrazole
SMILESCCc1c(Cl)cnn1C(F)F
InChIInChI=1S/C6H7ClF2N2/c1-2-5-4(7)3-10-11(5)6(8)9/h3,6H,2H2,1H3
InChIKeyWRMWLQVIRPGSSE-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-5-ethylpyrazole?
The IUPAC name of 4-chloro-1-(difluoromethyl)-5-ethylpyrazole (CID 167201235) is 4-chloro-1-(difluoromethyl)-5-ethylpyrazole.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-5-ethylpyrazole?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-5-ethylpyrazole is CCc1c(Cl)cnn1C(F)F.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-5-ethylpyrazole?
The InChIKey is WRMWLQVIRPGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2/c1-2-5-4(7)3-10-11(5)6(8)9/h3,6H,2H2,1H3.
What are the key properties of 4-chloro-1-(difluoromethyl)-5-ethylpyrazole?
4-chloro-1-(difluoromethyl)-5-ethylpyrazole has a molecular weight of 180.59 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-5-ethylpyrazole is sourced from PubChem (CID 167201235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).