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

C12H19N5O3S — CID 95850155

IUPACN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2nonc2C)c(C)n1
InChIInChI=1S/C12H19N5O3S/c1-5-6-17-8-12(10(3)13-17)21(18,19)16(4)7-11-9(2)14-20-15-11/h8H,5-7H2,1-4H3
InChIKeyKICMHLFNQXKVJL-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.11
Rot. Bonds6

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

N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 95850155) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID95850155
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC NameN,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2nonc2C)c(C)n1
InChIInChI=1S/C12H19N5O3S/c1-5-6-17-8-12(10(3)13-17)21(18,19)16(4)7-11-9(2)14-20-15-11/h8H,5-7H2,1-4H3
InChIKeyKICMHLFNQXKVJL-UHFFFAOYSA-N
XLogP1.11
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 95850155) is N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2nonc2C)c(C)n1.
What is the InChIKey of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is KICMHLFNQXKVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-5-6-17-8-12(10(3)13-17)21(18,19)16(4)7-11-9(2)14-20-15-11/h8H,5-7H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 95850155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).