5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole

C6H10F2N2 — CID 89393957

IUPAC5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole
SMILESCC1=CN(C)NC1C(F)F
InChIInChI=1S/C6H10F2N2/c1-4-3-10(2)9-5(4)6(7)8/h3,5-6,9H,1-2H3
InChIKeyRNUQPNOJPNKJBN-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.97
Rot. Bonds1

About 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole

5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole (PubChem CID 89393957) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole
PubChem CID89393957
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole
SMILESCC1=CN(C)NC1C(F)F
InChIInChI=1S/C6H10F2N2/c1-4-3-10(2)9-5(4)6(7)8/h3,5-6,9H,1-2H3
InChIKeyRNUQPNOJPNKJBN-UHFFFAOYSA-N
XLogP0.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole?
The IUPAC name of 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole (CID 89393957) is 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole.
What is the SMILES notation for 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole?
The canonical SMILES for 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole is CC1=CN(C)NC1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole?
The InChIKey is RNUQPNOJPNKJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-4-3-10(2)9-5(4)6(7)8/h3,5-6,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole?
5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole has a molecular weight of 148.16 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole is sourced from PubChem (CID 89393957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).