3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole

C15H26F2N2 — CID 126510177

IUPAC3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole
SMILESCCCCC(C)(CCCC)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H26F2N2/c1-5-7-9-15(3,10-8-6-2)12-11-19(4)18-13(12)14(16)17/h11,14H,5-10H2,1-4H3
InChIKeyDOSNUBKWNOLTMU-UHFFFAOYSA-N
MW272.38 g/mol
LogP5.00
Rot. Bonds8

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

3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole (PubChem CID 126510177) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole
PubChem CID126510177
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole
SMILESCCCCC(C)(CCCC)c1cn(C)nc1C(F)F
InChIInChI=1S/C15H26F2N2/c1-5-7-9-15(3,10-8-6-2)12-11-19(4)18-13(12)14(16)17/h11,14H,5-10H2,1-4H3
InChIKeyDOSNUBKWNOLTMU-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole (CID 126510177) is 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole is CCCCC(C)(CCCC)c1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole?
The InChIKey is DOSNUBKWNOLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-5-7-9-15(3,10-8-6-2)12-11-19(4)18-13(12)14(16)17/h11,14H,5-10H2,1-4H3.
What are the key properties of 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole?
3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole has a molecular weight of 272.38 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-4-(5-methylnonan-5-yl)pyrazole is sourced from PubChem (CID 126510177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).