3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide

C18H24N6O2S — CID 86266179

IUPAC3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1ccnc1-c1ccccn1
InChIInChI=1S/C18H24N6O2S/c1-13(2)24-15(4)17(14(3)22-24)27(25,26)21-10-12-23-11-9-20-18(23)16-7-5-6-8-19-16/h5-9,11,13,21H,10,12H2,1-4H3
InChIKeyYMDSHZXDOOQJTE-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.32
Rot. Bonds7

About 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide

3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 86266179) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID86266179
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1ccnc1-c1ccccn1
InChIInChI=1S/C18H24N6O2S/c1-13(2)24-15(4)17(14(3)22-24)27(25,26)21-10-12-23-11-9-20-18(23)16-7-5-6-8-19-16/h5-9,11,13,21H,10,12H2,1-4H3
InChIKeyYMDSHZXDOOQJTE-UHFFFAOYSA-N
XLogP2.32
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide (CID 86266179) is 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCn1ccnc1-c1ccccn1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is YMDSHZXDOOQJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13(2)24-15(4)17(14(3)22-24)27(25,26)21-10-12-23-11-9-20-18(23)16-7-5-6-8-19-16/h5-9,11,13,21H,10,12H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide?
3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 388.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 86266179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).