N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

C12H20N6O2S — CID 106086089

IUPACN-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1[nH]ncc1CNC(C)C
InChIInChI=1S/C12H20N6O2S/c1-8(2)13-5-10-6-14-15-12(10)21(19,20)17-11-7-18(4)16-9(11)3/h6-8,13,17H,5H2,1-4H3,(H,14,15)
InChIKeyVHUNWTNWNPYIHN-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.75
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106086089) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106086089
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1[nH]ncc1CNC(C)C
InChIInChI=1S/C12H20N6O2S/c1-8(2)13-5-10-6-14-15-12(10)21(19,20)17-11-7-18(4)16-9(11)3/h6-8,13,17H,5H2,1-4H3,(H,14,15)
InChIKeyVHUNWTNWNPYIHN-UHFFFAOYSA-N
XLogP0.75
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-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-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
4-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazole-5-sulfonamide
CID 106090355
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106055677
N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106078834
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
N-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106091929
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (CID 106086089) is N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1[nH]ncc1CNC(C)C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is VHUNWTNWNPYIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-8(2)13-5-10-6-14-15-12(10)21(19,20)17-11-7-18(4)16-9(11)3/h6-8,13,17H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106086089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).