4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide

C19H18FN3O3S — CID 71453561

IUPAC4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NS(C)(=O)=O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O3S/c1-12-17(18(22-21-12)19(24)23-27(2,25)26)11-13-4-3-5-15(10-13)14-6-8-16(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZRDMLZHOLIWTKX-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.80
Rot. Bonds5

About 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide

4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide (PubChem CID 71453561) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide
PubChem CID71453561
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NS(C)(=O)=O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O3S/c1-12-17(18(22-21-12)19(24)23-27(2,25)26)11-13-4-3-5-15(10-13)14-6-8-16(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZRDMLZHOLIWTKX-UHFFFAOYSA-N
XLogP2.80
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide (CID 71453561) is 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NS(C)(=O)=O)c1Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZRDMLZHOLIWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-17(18(22-21-12)19(24)23-27(2,25)26)11-13-4-3-5-15(10-13)14-6-8-16(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide?
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71453561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).