4-chloro-1-(difluoromethyl)-3-ethoxypyrazole

C6H7ClF2N2O — CID 167200818

IUPAC4-chloro-1-(difluoromethyl)-3-ethoxypyrazole
SMILESCCOc1nn(C(F)F)cc1Cl
InChIInChI=1S/C6H7ClF2N2O/c1-2-12-5-4(7)3-11(10-5)6(8)9/h3,6H,2H2,1H3
InChIKeyIEXRBDGTYNAZNP-UHFFFAOYSA-N
MW196.58 g/mol
LogP2.33
Rot. Bonds3

About 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole

4-chloro-1-(difluoromethyl)-3-ethoxypyrazole (PubChem CID 167200818) has the molecular formula C6H7ClF2N2O and a molecular weight of 196.58 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-3-ethoxypyrazole
PubChem CID167200818
Molecular FormulaC6H7ClF2N2O
Molecular Weight196.58 g/mol
Exact Mass196.02
IUPAC Name4-chloro-1-(difluoromethyl)-3-ethoxypyrazole
SMILESCCOc1nn(C(F)F)cc1Cl
InChIInChI=1S/C6H7ClF2N2O/c1-2-12-5-4(7)3-11(10-5)6(8)9/h3,6H,2H2,1H3
InChIKeyIEXRBDGTYNAZNP-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.58
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole?
The IUPAC name of 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole (CID 167200818) is 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole is CCOc1nn(C(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole?
The InChIKey is IEXRBDGTYNAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O/c1-2-12-5-4(7)3-11(10-5)6(8)9/h3,6H,2H2,1H3.
What are the key properties of 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole?
4-chloro-1-(difluoromethyl)-3-ethoxypyrazole has a molecular weight of 196.58 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-3-ethoxypyrazole is sourced from PubChem (CID 167200818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).