1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide

C18H26N4O3S — CID 91626016

IUPAC1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NC2CCC(Oc3ccccn3)CC2)c1C
InChIInChI=1S/C18H26N4O3S/c1-4-22-14(3)18(13(2)20-22)26(23,24)21-15-8-10-16(11-9-15)25-17-7-5-6-12-19-17/h5-7,12,15-16,21H,4,8-11H2,1-3H3
InChIKeyOCQWQIDGHAIXED-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.58
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide (PubChem CID 91626016) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
PubChem CID91626016
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NC2CCC(Oc3ccccn3)CC2)c1C
InChIInChI=1S/C18H26N4O3S/c1-4-22-14(3)18(13(2)20-22)26(23,24)21-15-8-10-16(11-9-15)25-17-7-5-6-12-19-17/h5-7,12,15-16,21H,4,8-11H2,1-3H3
InChIKeyOCQWQIDGHAIXED-UHFFFAOYSA-N
XLogP2.58
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide (CID 91626016) is 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NC2CCC(Oc3ccccn3)CC2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is OCQWQIDGHAIXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-22-14(3)18(13(2)20-22)26(23,24)21-15-8-10-16(11-9-15)25-17-7-5-6-12-19-17/h5-7,12,15-16,21H,4,8-11H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 91626016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).