N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide

C19H29N3O2S — CID 97317135

IUPACN,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C19H29N3O2S/c1-13(2)18(17-11-9-8-10-12-17)21(7)25(23,24)19-15(5)20-22(14(3)4)16(19)6/h8-14,18H,1-7H3/t18-/m0/s1
InChIKeyZJWGAFQEHUARRM-SFHVURJKSA-N
MW363.53 g/mol
LogP4.10
Rot. Bonds6

About N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide

N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 97317135) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID97317135
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C19H29N3O2S/c1-13(2)18(17-11-9-8-10-12-17)21(7)25(23,24)19-15(5)20-22(14(3)4)16(19)6/h8-14,18H,1-7H3/t18-/m0/s1
InChIKeyZJWGAFQEHUARRM-SFHVURJKSA-N
XLogP4.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-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,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 97317135) is N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C.
What is the InChIKey of N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is ZJWGAFQEHUARRM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-13(2)18(17-11-9-8-10-12-17)21(7)25(23,24)19-15(5)20-22(14(3)4)16(19)6/h8-14,18H,1-7H3/t18-/m0/s1.
What are the key properties of N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 363.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 97317135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).