1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide

C24H29N3O2S — CID 42282720

IUPAC1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2S/c1-19-24(18-27(26-19)22-14-8-9-15-22)30(28,29)25-17-16-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,18,22-23,25H,8-9,14-17H2,1H3
InChIKeyRBSDSLUFVRGVOK-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.81
Rot. Bonds8

About 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide

1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 42282720) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
PubChem CID42282720
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O2S/c1-19-24(18-27(26-19)22-14-8-9-15-22)30(28,29)25-17-16-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,18,22-23,25H,8-9,14-17H2,1H3
InChIKeyRBSDSLUFVRGVOK-UHFFFAOYSA-N
XLogP4.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide (CID 42282720) is 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide is Cc1nn(C2CCCC2)cc1S(=O)(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is RBSDSLUFVRGVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-19-24(18-27(26-19)22-14-8-9-15-22)30(28,29)25-17-16-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,18,22-23,25H,8-9,14-17H2,1H3.
What are the key properties of 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide?
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 423.58 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).