2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide

C12H13ClN4O3S — CID 170322459

IUPAC2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(N)=O)(c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H13ClN4O3S/c1-12(11(14)18,21(2,19)20)9-7-17(16-10(9)13)8-4-3-5-15-6-8/h3-7H,1-2H3,(H2,14,18)
InChIKeySUGRTNVAXPODFX-UHFFFAOYSA-N
MW328.78 g/mol
LogP0.67
Rot. Bonds4

About 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide

2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide (PubChem CID 170322459) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
PubChem CID170322459
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(N)=O)(c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H13ClN4O3S/c1-12(11(14)18,21(2,19)20)9-7-17(16-10(9)13)8-4-3-5-15-6-8/h3-7H,1-2H3,(H2,14,18)
InChIKeySUGRTNVAXPODFX-UHFFFAOYSA-N
XLogP0.67
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832
2-amino-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2-dimethyl-3-methylsulfanylpropanamide
CID 123808495
(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-(2-hydroxy-3,3-dimethylbutyl)carbamic acid
CID 118897497
tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(trideuteriomethyl)carbamate
CID 90359856
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2,2-trimethyl-3-methylsulfanylpropanamide
CID 86705839
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfonyl)-N-methylpropanamide
CID 118945717
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-(2-methyl-3-methylsulfanylpropanoyl)-3-methylsulfanylpropanamide
CID 90359861
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide
CID 123277810
(1S,4R)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-(methylsulfonylmethyl)cyclopent-2-ene-1-carboxamide
CID 158240608
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
2-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl acetate
CID 86700580
[(E)-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxo-3-(3,3,3-trifluoropropylsulfonyl)propan-2-ylidene]amino] acetate
CID 118027592

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
The IUPAC name of 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide (CID 170322459) is 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide is CC(C(N)=O)(c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
The InChIKey is SUGRTNVAXPODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-12(11(14)18,21(2,19)20)9-7-17(16-10(9)13)8-4-3-5-15-6-8/h3-7H,1-2H3,(H2,14,18).
What are the key properties of 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide has a molecular weight of 328.78 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 170322459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).