1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole

C6H5F5N2O — CID 141420724

IUPAC1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
SMILESCc1cnn(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C6H5F5N2O/c1-3-2-12-13(5(7)8)4(3)14-6(9,10)11/h2,5H,1H3
InChIKeyLHBQHCVPBZXRLP-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.49
Rot. Bonds2

About 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole

1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole (PubChem CID 141420724) has the molecular formula C6H5F5N2O and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
PubChem CID141420724
Molecular FormulaC6H5F5N2O
Molecular Weight216.11 g/mol
Exact Mass216.03
IUPAC Name1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
SMILESCc1cnn(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C6H5F5N2O/c1-3-2-12-13(5(7)8)4(3)14-6(9,10)11/h2,5H,1H3
InChIKeyLHBQHCVPBZXRLP-UHFFFAOYSA-N
XLogP2.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole (CID 141420724) is 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole is Cc1cnn(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
The InChIKey is LHBQHCVPBZXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O/c1-3-2-12-13(5(7)8)4(3)14-6(9,10)11/h2,5H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole?
1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole has a molecular weight of 216.11 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole is sourced from PubChem (CID 141420724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).