5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole

C12H19ClF2N2 — CID 126510156

IUPAC5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole
SMILESCCCC(C)(CC)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C12H19ClF2N2/c1-5-7-12(3,6-2)8-9(11(14)15)16-17(4)10(8)13/h11H,5-7H2,1-4H3
InChIKeyCEIRYBMSOPLFBW-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.48
Rot. Bonds5

About 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole

5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole (PubChem CID 126510156) has the molecular formula C12H19ClF2N2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole
PubChem CID126510156
Molecular FormulaC12H19ClF2N2
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole
SMILESCCCC(C)(CC)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C12H19ClF2N2/c1-5-7-12(3,6-2)8-9(11(14)15)16-17(4)10(8)13/h11H,5-7H2,1-4H3
InChIKeyCEIRYBMSOPLFBW-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.48
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-(3-methylhexan-3-yl)pyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole (CID 126510156) is 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole is CCCC(C)(CC)c1c(C(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole?
The InChIKey is CEIRYBMSOPLFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF2N2/c1-5-7-12(3,6-2)8-9(11(14)15)16-17(4)10(8)13/h11H,5-7H2,1-4H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole?
5-chloro-3-(difluoromethyl)-1-methyl-4-(3-methylhexan-3-yl)pyrazole has a molecular weight of 264.75 g/mol, XLogP of 4.48, 5 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-(3-methylhexan-3-yl)pyrazole is sourced from PubChem (CID 126510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).