1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole

C12H12F2N2O — CID 90764770

IUPAC1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
SMILESCOCc1ccnn1-c1ccccc1C(F)F
InChIInChI=1S/C12H12F2N2O/c1-17-8-9-6-7-15-16(9)11-5-3-2-4-10(11)12(13)14/h2-7,12H,8H2,1H3
InChIKeyKIXXPVLJQLNQBS-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole

1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole (PubChem CID 90764770) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
PubChem CID90764770
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
SMILESCOCc1ccnn1-c1ccccc1C(F)F
InChIInChI=1S/C12H12F2N2O/c1-17-8-9-6-7-15-16(9)11-5-3-2-4-10(11)12(13)14/h2-7,12H,8H2,1H3
InChIKeyKIXXPVLJQLNQBS-UHFFFAOYSA-N
XLogP2.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
The IUPAC name of 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole (CID 90764770) is 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
The canonical SMILES for 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole is COCc1ccnn1-c1ccccc1C(F)F.
What is the InChIKey of 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
The InChIKey is KIXXPVLJQLNQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-17-8-9-6-7-15-16(9)11-5-3-2-4-10(11)12(13)14/h2-7,12H,8H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole has a molecular weight of 238.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)phenyl]-5-(methoxymethyl)pyrazole is sourced from PubChem (CID 90764770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).