N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide

C24H27N3O4S — CID 24981995

IUPACN-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H27N3O4S/c1-3-14-26(20-13-15-32(29,30)17-20)24(28)22-16-27(19-7-5-4-6-8-19)25-23(22)18-9-11-21(31-2)12-10-18/h4-12,16,20H,3,13-15,17H2,1-2H3
InChIKeyFJJSXDMZVJQQKS-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.59
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide (PubChem CID 24981995) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide
PubChem CID24981995
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H27N3O4S/c1-3-14-26(20-13-15-32(29,30)17-20)24(28)22-16-27(19-7-5-4-6-8-19)25-23(22)18-9-11-21(31-2)12-10-18/h4-12,16,20H,3,13-15,17H2,1-2H3
InChIKeyFJJSXDMZVJQQKS-UHFFFAOYSA-N
XLogP3.59
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide (CID 24981995) is N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide is CCCN(C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide?
The InChIKey is FJJSXDMZVJQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-3-14-26(20-13-15-32(29,30)17-20)24(28)22-16-27(19-7-5-4-6-8-19)25-23(22)18-9-11-21(31-2)12-10-18/h4-12,16,20H,3,13-15,17H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)-1-phenyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 24981995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).