N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C17H21FN4O4S — CID 24673153

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H21FN4O4S/c1-11-16(12(2)21(3)20-11)17(23)19-13-4-5-14(18)15(10-13)27(24,25)22-6-8-26-9-7-22/h4-5,10H,6-9H2,1-3H3,(H,19,23)
InChIKeyGSXOQKDRHBGWOJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.45
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 24673153) has the molecular formula C17H21FN4O4S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID24673153
Molecular FormulaC17H21FN4O4S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H21FN4O4S/c1-11-16(12(2)21(3)20-11)17(23)19-13-4-5-14(18)15(10-13)27(24,25)22-6-8-26-9-7-22/h4-5,10H,6-9H2,1-3H3,(H,19,23)
InChIKeyGSXOQKDRHBGWOJ-UHFFFAOYSA-N
XLogP1.45
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55923829
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 60575876
N-[1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 51133711
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24503051

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 24673153) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is GSXOQKDRHBGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4S/c1-11-16(12(2)21(3)20-11)17(23)19-13-4-5-14(18)15(10-13)27(24,25)22-6-8-26-9-7-22/h4-5,10H,6-9H2,1-3H3,(H,19,23).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 24673153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).