N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C9H17N3O3S — CID 103918614

IUPACN-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C9H17N3O3S/c1-4-8(5-13)12-16(14,15)9-6(2)10-11-7(9)3/h8,12-13H,4-5H2,1-3H3,(H,10,11)/t8-/m1/s1
InChIKeyMEHRXDKJCKFWIJ-MRVPVSSYSA-N
MW247.32 g/mol
LogP0.08
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 103918614) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID103918614
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C9H17N3O3S/c1-4-8(5-13)12-16(14,15)9-6(2)10-11-7(9)3/h8,12-13H,4-5H2,1-3H3,(H,10,11)/t8-/m1/s1
InChIKeyMEHRXDKJCKFWIJ-MRVPVSSYSA-N
XLogP0.08
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-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-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 115901958
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61273722
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
CID 104935418
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
CID 61145220
N-[2-ethyl-2-(hydroxymethyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914972
2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
CID 55108733
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43078991
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 103918614) is N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CC[C@H](CO)NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MEHRXDKJCKFWIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-4-8(5-13)12-16(14,15)9-6(2)10-11-7(9)3/h8,12-13H,4-5H2,1-3H3,(H,10,11)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103918614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).