3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide

C8H13N3O3S — CID 60967570

IUPAC3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c1-15(13,14)3-2-8(12)9-4-7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyBIYCIEJQIVUKQD-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.54
Rot. Bonds5

About 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide

3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 60967570) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID60967570
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c1-15(13,14)3-2-8(12)9-4-7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11)
InChIKeyBIYCIEJQIVUKQD-UHFFFAOYSA-N
XLogP-0.54
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide 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

5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715036
N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755521
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone
CID 43582189
N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582888
N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
CID 43615577
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 43649066
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonylpropanamide
CID 49491357
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 54877017
2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54893819
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897068
2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 54897114

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 60967570) is 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide is CS(=O)(=O)CCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is BIYCIEJQIVUKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-15(13,14)3-2-8(12)9-4-7-5-10-11-6-7/h5-6H,2-4H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 231.28 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 60967570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).