5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole

C9H14F2N2 — CID 165138413

IUPAC5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
SMILESCc1cc(C(F)F)n(CC(C)C)n1
InChIInChI=1S/C9H14F2N2/c1-6(2)5-13-8(9(10)11)4-7(3)12-13/h4,6,9H,5H2,1-3H3
InChIKeyLFJPINOYESMSNI-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.79
Rot. Bonds3

About 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole

5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole (PubChem CID 165138413) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
PubChem CID165138413
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
SMILESCc1cc(C(F)F)n(CC(C)C)n1
InChIInChI=1S/C9H14F2N2/c1-6(2)5-13-8(9(10)11)4-7(3)12-13/h4,6,9H,5H2,1-3H3
InChIKeyLFJPINOYESMSNI-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole (CID 165138413) is 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole is Cc1cc(C(F)F)n(CC(C)C)n1.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole?
The InChIKey is LFJPINOYESMSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-6(2)5-13-8(9(10)11)4-7(3)12-13/h4,6,9H,5H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole?
5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole has a molecular weight of 188.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 165138413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).