2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole

C7H6F2N4O — CID 170379640

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnn(C(F)F)c2)o1
InChIInChI=1S/C7H6F2N4O/c1-4-11-12-6(14-4)5-2-10-13(3-5)7(8)9/h2-3,7H,1H3
InChIKeyPINGEHACMQVSJZ-UHFFFAOYSA-N
MW200.15 g/mol
LogP1.64
Rot. Bonds2

About 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole

2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 170379640) has the molecular formula C7H6F2N4O and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID170379640
Molecular FormulaC7H6F2N4O
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnn(C(F)F)c2)o1
InChIInChI=1S/C7H6F2N4O/c1-4-11-12-6(14-4)5-2-10-13(3-5)7(8)9/h2-3,7H,1H3
InChIKeyPINGEHACMQVSJZ-UHFFFAOYSA-N
XLogP1.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole (CID 170379640) is 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cnn(C(F)F)c2)o1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is PINGEHACMQVSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4O/c1-4-11-12-6(14-4)5-2-10-13(3-5)7(8)9/h2-3,7H,1H3.
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 200.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 170379640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).