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

C18H16F2N2O3S — CID 67639108

IUPAC5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)F)cc1
InChIInChI=1S/C18H16F2N2O3S/c1-25-13-7-3-11(4-8-13)15-16(21-22-17(15)18(19)20)12-5-9-14(10-6-12)26(2,23)24/h3-10,18H,1-2H3,(H,21,22)
InChIKeyBYARNYFJWDPWJS-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.09
Rot. Bonds5

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

5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole (PubChem CID 67639108) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
PubChem CID67639108
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Name5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)F)cc1
InChIInChI=1S/C18H16F2N2O3S/c1-25-13-7-3-11(4-8-13)15-16(21-22-17(15)18(19)20)12-5-9-14(10-6-12)26(2,23)24/h3-10,18H,1-2H3,(H,21,22)
InChIKeyBYARNYFJWDPWJS-UHFFFAOYSA-N
XLogP4.09
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole (CID 67639108) is 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole is COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)F)cc1.
What is the InChIKey of 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
The InChIKey is BYARNYFJWDPWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-25-13-7-3-11(4-8-13)15-16(21-22-17(15)18(19)20)12-5-9-14(10-6-12)26(2,23)24/h3-10,18H,1-2H3,(H,21,22).
What are the key properties of 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole has a molecular weight of 378.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole is sourced from PubChem (CID 67639108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).