N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H23N5O3S — CID 71797593

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C19H23N5O3S/c1-13-19(14(2)27-23-13)28(25,26)21-12-16-11-18(15-7-9-20-10-8-15)24(22-16)17-5-3-4-6-17/h7-11,17,21H,3-6,12H2,1-2H3
InChIKeyVIOSXGBSXOIZRZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.14
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 71797593) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID71797593
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C19H23N5O3S/c1-13-19(14(2)27-23-13)28(25,26)21-12-16-11-18(15-7-9-20-10-8-15)24(22-16)17-5-3-4-6-17/h7-11,17,21H,3-6,12H2,1-2H3
InChIKeyVIOSXGBSXOIZRZ-UHFFFAOYSA-N
XLogP3.14
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 71797593) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VIOSXGBSXOIZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-19(14(2)27-23-13)28(25,26)21-12-16-11-18(15-7-9-20-10-8-15)24(22-16)17-5-3-4-6-17/h7-11,17,21H,3-6,12H2,1-2H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71797593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).