3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide

C21H37N3O2S — CID 42284010

IUPAC3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(C1CCCCC1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C21H37N3O2S/c1-16(2)24(18-13-7-6-8-14-18)27(25,26)19-15-23(17-11-9-10-12-17)22-20(19)21(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyFOCAKCZEUWZAIO-UHFFFAOYSA-N
MW395.61 g/mol
LogP5.03
Rot. Bonds5

About 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide

3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42284010) has the molecular formula C21H37N3O2S and a molecular weight of 395.61 g/mol. Its IUPAC name is 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42284010
Molecular FormulaC21H37N3O2S
Molecular Weight395.61 g/mol
Exact Mass395.26
IUPAC Name3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(C1CCCCC1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C21H37N3O2S/c1-16(2)24(18-13-7-6-8-14-18)27(25,26)19-15-23(17-11-9-10-12-17)22-20(19)21(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyFOCAKCZEUWZAIO-UHFFFAOYSA-N
XLogP5.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.61
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide (CID 42284010) is 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide is CC(C)N(C1CCCCC1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is FOCAKCZEUWZAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2S/c1-16(2)24(18-13-7-6-8-14-18)27(25,26)19-15-23(17-11-9-10-12-17)22-20(19)21(3,4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide?
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 395.61 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).