5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole

C8H11ClF2N2 — CID 118284701

IUPAC5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole
SMILESCC(C)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C8H11ClF2N2/c1-4(2)5-6(8(10)11)12-13(3)7(5)9/h4,8H,1-3H3
InChIKeyOWTALCKHGKVSMF-UHFFFAOYSA-N
MW208.64 g/mol
LogP3.13
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole

5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole (PubChem CID 118284701) has the molecular formula C8H11ClF2N2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole
PubChem CID118284701
Molecular FormulaC8H11ClF2N2
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole
SMILESCC(C)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C8H11ClF2N2/c1-4(2)5-6(8(10)11)12-13(3)7(5)9/h4,8H,1-3H3
InChIKeyOWTALCKHGKVSMF-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole (CID 118284701) is 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole is CC(C)c1c(C(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole?
The InChIKey is OWTALCKHGKVSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2/c1-4(2)5-6(8(10)11)12-13(3)7(5)9/h4,8H,1-3H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole?
5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole has a molecular weight of 208.64 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-methyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 118284701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).