N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide

C18H26N4O3S — CID 16676301

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2cn(C)nc2C)N2CCCC2)cc1
InChIInChI=1S/C18H26N4O3S/c1-14-18(13-21(2)20-14)26(23,24)19-12-17(22-10-4-5-11-22)15-6-8-16(25-3)9-7-15/h6-9,13,17,19H,4-5,10-12H2,1-3H3
InChIKeySIZDJRLGIRHTPM-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.85
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 16676301) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID16676301
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2cn(C)nc2C)N2CCCC2)cc1
InChIInChI=1S/C18H26N4O3S/c1-14-18(13-21(2)20-14)26(23,24)19-12-17(22-10-4-5-11-22)15-6-8-16(25-3)9-7-15/h6-9,13,17,19H,4-5,10-12H2,1-3H3
InChIKeySIZDJRLGIRHTPM-UHFFFAOYSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 16676301) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide is COc1ccc(C(CNS(=O)(=O)c2cn(C)nc2C)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is SIZDJRLGIRHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-14-18(13-21(2)20-14)26(23,24)19-12-17(22-10-4-5-11-22)15-6-8-16(25-3)9-7-15/h6-9,13,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16676301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).