1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide

C13H18F3N5O2S — CID 19582039

IUPAC1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H18F3N5O2S/c1-9-7-12(13(14,15)16)19-21(9)6-4-5-17-24(22,23)11-8-20(3)18-10(11)2/h7-8,17H,4-6H2,1-3H3
InChIKeyBWEGEQGPRWHNPF-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.62
Rot. Bonds6

About 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide

1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 19582039) has the molecular formula C13H18F3N5O2S and a molecular weight of 365.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID19582039
Molecular FormulaC13H18F3N5O2S
Molecular Weight365.38 g/mol
Exact Mass365.11
IUPAC Name1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H18F3N5O2S/c1-9-7-12(13(14,15)16)19-21(9)6-4-5-17-24(22,23)11-8-20(3)18-10(11)2/h7-8,17H,4-6H2,1-3H3
InChIKeyBWEGEQGPRWHNPF-UHFFFAOYSA-N
XLogP1.62
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]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

Related Compounds

N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089488
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089517
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 29089522
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 44822173
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 49670912
1-ethyl-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 70712495
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4775609
{[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl}{1-[(1-ethyl-5-methylpy razol-4-yl)methyl]pyrazol-4-yl}amine
CID 19582890
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853561
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)pyrazole-4-sulfonamide
CID 51853600

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 19582039) is 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is BWEGEQGPRWHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2S/c1-9-7-12(13(14,15)16)19-21(9)6-4-5-17-24(22,23)11-8-20(3)18-10(11)2/h7-8,17H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 365.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19582039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).