N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

C17H19N5O4S — CID 43975259

IUPACN-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2nnc(Cc3ccc(S(C)(=O)=O)cc3)o2)n1
InChIInChI=1S/C17H19N5O4S/c1-11(2)22-9-8-14(21-22)16(23)18-17-20-19-15(26-17)10-12-4-6-13(7-5-12)27(3,24)25/h4-9,11H,10H2,1-3H3,(H,18,20,23)
InChIKeyVPAZCADOZNSKCI-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.09
Rot. Bonds6

About N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 43975259) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID43975259
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2nnc(Cc3ccc(S(C)(=O)=O)cc3)o2)n1
InChIInChI=1S/C17H19N5O4S/c1-11(2)22-9-8-14(21-22)16(23)18-17-20-19-15(26-17)10-12-4-6-13(7-5-12)27(3,24)25/h4-9,11H,10H2,1-3H3,(H,18,20,23)
InChIKeyVPAZCADOZNSKCI-UHFFFAOYSA-N
XLogP2.09
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43973356
2,6-difluoro-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975144
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975049
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
3-ethylsulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975189
3-(2-chlorophenyl)-5-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 43975061
(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43975112
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
3-ethylsulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975188
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975096
5-[(4-methylsulfonylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 167780728

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (CID 43975259) is N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)Nc2nnc(Cc3ccc(S(C)(=O)=O)cc3)o2)n1.
What is the InChIKey of N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is VPAZCADOZNSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11(2)22-9-8-14(21-22)16(23)18-17-20-19-15(26-17)10-12-4-6-13(7-5-12)27(3,24)25/h4-9,11H,10H2,1-3H3,(H,18,20,23).
What are the key properties of N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 43975259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).