N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide

C7H10ClN3O3S — CID 164591606

IUPACN-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1cn[nH]c1Cl)S(C)(=O)=O
InChIInChI=1S/C7H10ClN3O3S/c1-4(15(2,13)14)7(12)10-5-3-9-11-6(5)8/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyNCQHTWFIDNEZON-UHFFFAOYSA-N
MW251.70 g/mol
LogP0.43
Rot. Bonds3

About N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide

N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide (PubChem CID 164591606) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.70 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide
PubChem CID164591606
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.70 g/mol
Exact Mass251.01
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1cn[nH]c1Cl)S(C)(=O)=O
InChIInChI=1S/C7H10ClN3O3S/c1-4(15(2,13)14)7(12)10-5-3-9-11-6(5)8/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyNCQHTWFIDNEZON-UHFFFAOYSA-N
XLogP0.43
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-1H-pyrazol-4-yl)-3-((3,3,3-trifluoropropyl)thio)propanamide
CID 91754505
1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715869
N-(5-chloro-1H-pyrazol-4-yl)butanamide
CID 13450486
N-(3-chloro-1H-pyrazol-4-yl)-N-ethyl-2-(ethylthio)propanamide
CID 86705854
N-(5-chloro-1H-pyrazol-4-yl)-2-methylpropanamide
CID 89884665
N-(3-chloro-1H-pyrazol-4-yl)acetamide
CID 91754462
N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-3-propylsulfanylpropanamide
CID 118029078
N-(5-chloro-1H-pyrazol-4-yl)-3-propylsulfanylpropanamide
CID 118032723
N-(5-chloro-1H-pyrazol-4-yl)-2-methyl-3-methylsulfanylpropanamide
CID 132302155
S-[3-[(5-chloro-1H-pyrazol-4-yl)amino]-3-oxopropyl] ethanethioate
CID 135193535
S-[3-[(5-chloro-1H-pyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate
CID 135193539
(2S)-N-(5-chloro-1H-pyrazol-4-yl)-2-methyl-3-methylsulfanylpropanamide
CID 140242890

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide (CID 164591606) is N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide is CC(C(=O)Nc1cn[nH]c1Cl)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide?
The InChIKey is NCQHTWFIDNEZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c1-4(15(2,13)14)7(12)10-5-3-9-11-6(5)8/h3-4H,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide?
N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide has a molecular weight of 251.70 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 164591606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).