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

C18H16F2N2O2S — CID 19355335

IUPAC5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)F)cc1
InChIInChI=1S/C18H16F2N2O2S/c1-11-3-5-12(6-4-11)15-16(21-22-17(15)18(19)20)13-7-9-14(10-8-13)25(2,23)24/h3-10,18H,1-2H3,(H,21,22)
InChIKeyIGRCUVKQESJOLP-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.39
Rot. Bonds4

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

5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole (PubChem CID 19355335) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
PubChem CID19355335
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC Name5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)F)cc1
InChIInChI=1S/C18H16F2N2O2S/c1-11-3-5-12(6-4-11)15-16(21-22-17(15)18(19)20)13-7-9-14(10-8-13)25(2,23)24/h3-10,18H,1-2H3,(H,21,22)
InChIKeyIGRCUVKQESJOLP-UHFFFAOYSA-N
XLogP4.39
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole (CID 19355335) is 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole is Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2C(F)F)cc1.
What is the InChIKey of 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
The InChIKey is IGRCUVKQESJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c1-11-3-5-12(6-4-11)15-16(21-22-17(15)18(19)20)13-7-9-14(10-8-13)25(2,23)24/h3-10,18H,1-2H3,(H,21,22).
What are the key properties of 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole?
5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole has a molecular weight of 362.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole is sourced from PubChem (CID 19355335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).