N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide

C19H26N4O2S — CID 9235992

IUPACN,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(CN2CC=C(c3ccccc3)CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C19H26N4O2S/c1-15-19(26(24,25)21(3)4)16(2)23(20-15)14-22-12-10-18(11-13-22)17-8-6-5-7-9-17/h5-10H,11-14H2,1-4H3
InChIKeyANCCDLBBMZBQCV-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.50
Rot. Bonds5

About N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide

N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 9235992) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide
PubChem CID9235992
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(CN2CC=C(c3ccccc3)CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C19H26N4O2S/c1-15-19(26(24,25)21(3)4)16(2)23(20-15)14-22-12-10-18(11-13-22)17-8-6-5-7-9-17/h5-10H,11-14H2,1-4H3
InChIKeyANCCDLBBMZBQCV-UHFFFAOYSA-N
XLogP2.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-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,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide (CID 9235992) is N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(CN2CC=C(c3ccccc3)CC2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ANCCDLBBMZBQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15-19(26(24,25)21(3)4)16(2)23(20-15)14-22-12-10-18(11-13-22)17-8-6-5-7-9-17/h5-10H,11-14H2,1-4H3.
What are the key properties of N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide?
N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 9235992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).