5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole

C11H17ClF2N2 — CID 126510147

IUPAC5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole
SMILESCCCC(C)(C)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C11H17ClF2N2/c1-5-6-11(2,3)7-8(10(13)14)15-16(4)9(7)12/h10H,5-6H2,1-4H3
InChIKeyJTMRECBVQCVSRG-UHFFFAOYSA-N
MW250.72 g/mol
LogP4.09
Rot. Bonds4

About 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole

5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole (PubChem CID 126510147) has the molecular formula C11H17ClF2N2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole
PubChem CID126510147
Molecular FormulaC11H17ClF2N2
Molecular Weight250.72 g/mol
Exact Mass250.10
IUPAC Name5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole
SMILESCCCC(C)(C)c1c(C(F)F)nn(C)c1Cl
InChIInChI=1S/C11H17ClF2N2/c1-5-6-11(2,3)7-8(10(13)14)15-16(4)9(7)12/h10H,5-6H2,1-4H3
InChIKeyJTMRECBVQCVSRG-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 54.09
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-(2-methylpentan-2-yl)pyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole (CID 126510147) is 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole is CCCC(C)(C)c1c(C(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole?
The InChIKey is JTMRECBVQCVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF2N2/c1-5-6-11(2,3)7-8(10(13)14)15-16(4)9(7)12/h10H,5-6H2,1-4H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole?
5-chloro-3-(difluoromethyl)-1-methyl-4-(2-methylpentan-2-yl)pyrazole has a molecular weight of 250.72 g/mol, XLogP of 4.09, 4 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-(2-methylpentan-2-yl)pyrazole is sourced from PubChem (CID 126510147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).