N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide

C14H22N4O2S2 — CID 71855839

IUPACN,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(Cc2nc(C)cs2)c1C
InChIInChI=1S/C14H22N4O2S2/c1-6-17(7-2)22(19,20)14-11(4)16-18(12(14)5)8-13-15-10(3)9-21-13/h9H,6-8H2,1-5H3
InChIKeyJBNLZRFZSKDQCT-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.34
Rot. Bonds6

About N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide

N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71855839) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71855839
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC NameN,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(Cc2nc(C)cs2)c1C
InChIInChI=1S/C14H22N4O2S2/c1-6-17(7-2)22(19,20)14-11(4)16-18(12(14)5)8-13-15-10(3)9-21-13/h9H,6-8H2,1-5H3
InChIKeyJBNLZRFZSKDQCT-UHFFFAOYSA-N
XLogP2.34
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide (CID 71855839) is N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1c(C)nn(Cc2nc(C)cs2)c1C.
What is the InChIKey of N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is JBNLZRFZSKDQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-6-17(7-2)22(19,20)14-11(4)16-18(12(14)5)8-13-15-10(3)9-21-13/h9H,6-8H2,1-5H3.
What are the key properties of N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide?
N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71855839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).