N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide

C14H21N5O3S — CID 71997043

IUPACN-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2nc(C)no2)c1C
InChIInChI=1S/C14H21N5O3S/c1-5-19(12-6-7-12)23(20,21)14-9(2)16-18(10(14)3)8-13-15-11(4)17-22-13/h12H,5-8H2,1-4H3
InChIKeyISOUNMDZKHQKQS-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.41
Rot. Bonds6

About N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide

N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71997043) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71997043
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2nc(C)no2)c1C
InChIInChI=1S/C14H21N5O3S/c1-5-19(12-6-7-12)23(20,21)14-9(2)16-18(10(14)3)8-13-15-11(4)17-22-13/h12H,5-8H2,1-4H3
InChIKeyISOUNMDZKHQKQS-UHFFFAOYSA-N
XLogP1.41
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 167789303
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647816
3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 120712616
methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
CID 75386587
3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
CID 120712615
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648009
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide
CID 60523767
N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 61384412
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969
5-[[3-(diethylsulfamoylamino)-2-oxoazepan-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 126796885
3-cyclopropyl-5-[[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993234

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide (CID 71997043) is N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide is CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2nc(C)no2)c1C.
What is the InChIKey of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ISOUNMDZKHQKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-5-19(12-6-7-12)23(20,21)14-9(2)16-18(10(14)3)8-13-15-11(4)17-22-13/h12H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide?
N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71997043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).