N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide

C15H16FN3O3S — CID 38832867

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FN3O3S/c1-18(13-7-9-23(21,22)10-13)15(20)14-6-8-19(17-14)12-4-2-11(16)3-5-12/h2-6,8,13H,7,9-10H2,1H3/t13-/m1/s1
InChIKeyRTKSFDNWSORRTM-CYBMUJFWSA-N
MW337.38 g/mol
LogP1.27
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 38832867) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID38832867
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H16FN3O3S/c1-18(13-7-9-23(21,22)10-13)15(20)14-6-8-19(17-14)12-4-2-11(16)3-5-12/h2-6,8,13H,7,9-10H2,1H3/t13-/m1/s1
InChIKeyRTKSFDNWSORRTM-CYBMUJFWSA-N
XLogP1.27
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 42896627
N-(1,1-dioxothiolan-3-yl)-1-(2-fluorophenyl)-N,5-dimethylpyrazole-3-carboxamide
CID 110411925
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpyrimidine-4-carboxamide
CID 109372579
1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 95152415
6-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 113343275
N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
CID 110467315
6-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 62240492
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 38832303
N-(1,1-dioxothiolan-3-yl)-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109237368
6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 113200172

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide (CID 38832867) is N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide is CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is RTKSFDNWSORRTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-18(13-7-9-23(21,22)10-13)15(20)14-6-8-19(17-14)12-4-2-11(16)3-5-12/h2-6,8,13H,7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 38832867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).