N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

C13H21N5O2S — CID 29089517

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C)c2)c1C
InChIInChI=1S/C13H21N5O2S/c1-6-18-11(3)13(10(2)15-18)9-17(5)21(19,20)12-7-14-16(4)8-12/h7-8H,6,9H2,1-5H3
InChIKeyRHTKIEKVVDGBSV-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.07
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 29089517) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID29089517
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C)c2)c1C
InChIInChI=1S/C13H21N5O2S/c1-6-18-11(3)13(10(2)15-18)9-17(5)21(19,20)12-7-14-16(4)8-12/h7-8H,6,9H2,1-5H3
InChIKeyRHTKIEKVVDGBSV-UHFFFAOYSA-N
XLogP1.07
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-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

1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089488
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
4-Methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 2795926
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4775609
1-(difluoromethyl)-N,5-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 19576528
1-(difluoromethyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576557
1-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576580
1-(difluoromethyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576590
4-{[5-(difluoromethyl)-3-methyl-1H-pyrazol-1-yl]sulfonyl}-1,3-dimethyl-1H-pyrazole
CID 19587891
5-(Difluoromethyl)-1-[(1-ethyl-1H-pyrazol-4-YL)sulfonyl]-3-methyl-1H-pyrazole
CID 19588726

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 29089517) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C)c2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is RHTKIEKVVDGBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-6-18-11(3)13(10(2)15-18)9-17(5)21(19,20)12-7-14-16(4)8-12/h7-8H,6,9H2,1-5H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).