5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole

C11H10F2N2O — CID 2782519

IUPAC5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(C(F)F)[nH]n2)cc1
InChIInChI=1S/C11H10F2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(11(12)13)15-14-9/h2-6,11H,1H3,(H,14,15)
InChIKeyRQTLTZHBBOVPLZ-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.02
Rot. Bonds3

About 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 2782519) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID2782519
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(C(F)F)[nH]n2)cc1
InChIInChI=1S/C11H10F2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(11(12)13)15-14-9/h2-6,11H,1H3,(H,14,15)
InChIKeyRQTLTZHBBOVPLZ-UHFFFAOYSA-N
XLogP3.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3240675
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole
CID 2058016
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
[(2R)-2-amino-2-[3-[4-octoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propyl] dihydrogen phosphate
CID 59384372
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 2782519) is 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(C(F)F)[nH]n2)cc1.
What is the InChIKey of 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is RQTLTZHBBOVPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(11(12)13)15-14-9/h2-6,11H,1H3,(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 224.21 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 2782519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).