N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H15F3N4O3S — CID 172803606

IUPACN-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)Nn1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)c1C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c1-11(26)23-25-17(18(19,20)21)15(16(24-25)13-7-9-22-10-8-13)12-3-5-14(6-4-12)29(2,27)28/h3-10H,1-2H3,(H,23,26)
InChIKeyREXYVWCYUTXBOH-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.12
Rot. Bonds4

About N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 172803606) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID172803606
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC NameN-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)Nn1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)c1C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c1-11(26)23-25-17(18(19,20)21)15(16(24-25)13-7-9-22-10-8-13)12-3-5-14(6-4-12)29(2,27)28/h3-10H,1-2H3,(H,23,26)
InChIKeyREXYVWCYUTXBOH-UHFFFAOYSA-N
XLogP3.12
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 19355315
2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 19355366
2-[4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate
CID 18914566
1-methyl-3-(4-methylsulfonylphenyl)-4-pyridin-4-ylpyrazole-5-carboxylate
CID 19355534
1-methyl-4-(4-methylsulfonylphenyl)-3-pyridin-4-ylpyrazole-5-carboxylate
CID 19355776
2-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19355827
2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 18914497
[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
CID 19355404
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
1-benzyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
CID 19355927
2-[4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 18914507
4-[1-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355442

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 172803606) is N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(=O)Nn1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)c1C(F)(F)F.
What is the InChIKey of N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is REXYVWCYUTXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-11(26)23-25-17(18(19,20)21)15(16(24-25)13-7-9-22-10-8-13)12-3-5-14(6-4-12)29(2,27)28/h3-10H,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 424.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 172803606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).