N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide

C61H67Cl5N20O15S5 — CID 159146027

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C)(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CN(C(=O)CS(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CS(=O)(=O)CC(=O)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/2C13H15ClN4O3S.2C12H13ClN4O3S.C11H11ClN4O3S/c1-13(2,22(3,20)21)12(19)16-10-8-18(17-11(10)14)9-5-4-6-15-7-9;1-9(22(3,20)21)13(19)17(2)11-8-18(16-12(11)14)10-5-4-6-15-7-10;1-16(11(18)8-21(2,19)20)10-7-17(15-12(10)13)9-4-3-5-14-6-9;1-8(21(2,19)20)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9;1-20(18,19)7-10(17)14-9-6-16(15-11(9)12)8-3-2-4-13-5-8/h4-8H,1-3H3,(H,16,19);4-9H,1-3H3;3-7H,8H2,1-2H3;3-8H,1-2H3,(H,15,18);2-6H,7H2,1H3,(H,14,17)
InChIKeyKIROVWDMCWZLIO-UHFFFAOYSA-N
MW1657.93 g/mol
LogP6.12
Rot. Bonds20

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide (PubChem CID 159146027) has the molecular formula C61H67Cl5N20O15S5 and a molecular weight of 1657.93 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
PubChem CID159146027
Molecular FormulaC61H67Cl5N20O15S5
Molecular Weight1657.93 g/mol
Exact Mass1654.21
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C)(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CN(C(=O)CS(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CS(=O)(=O)CC(=O)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/2C13H15ClN4O3S.2C12H13ClN4O3S.C11H11ClN4O3S/c1-13(2,22(3,20)21)12(19)16-10-8-18(17-11(10)14)9-5-4-6-15-7-9;1-9(22(3,20)21)13(19)17(2)11-8-18(16-12(11)14)10-5-4-6-15-7-10;1-16(11(18)8-21(2,19)20)10-7-17(15-12(10)13)9-4-3-5-14-6-9;1-8(21(2,19)20)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9;1-20(18,19)7-10(17)14-9-6-16(15-11(9)12)8-3-2-4-13-5-8/h4-8H,1-3H3,(H,16,19);4-9H,1-3H3;3-7H,8H2,1-2H3;3-8H,1-2H3,(H,15,18);2-6H,7H2,1H3,(H,14,17)
InChIKeyKIROVWDMCWZLIO-UHFFFAOYSA-N
XLogP6.12
TPSA452.17 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms106
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.93
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide (CID 159146027) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide is CC(C(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CC(C)(C(=O)Nc1cn(-c2cccnc2)nc1Cl)S(C)(=O)=O.CN(C(=O)CS(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CS(=O)(=O)CC(=O)Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
The InChIKey is KIROVWDMCWZLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15ClN4O3S.2C12H13ClN4O3S.C11H11ClN4O3S/c1-13(2,22(3,20)21)12(19)16-10-8-18(17-11(10)14)9-5-4-6-15-7-9;1-9(22(3,20)21)13(19)17(2)11-8-18(16-12(11)14)10-5-4-6-15-7-10;1-16(11(18)8-21(2,19)20)10-7-17(15-12(10)13)9-4-3-5-14-6-9;1-8(21(2,19)20)12(18)15-10-7-17(16-11(10)13)9-4-3-5-14-6-9;1-20(18,19)7-10(17)14-9-6-16(15-11(9)12)8-3-2-4-13-5-8/h4-8H,1-3H3,(H,16,19);4-9H,1-3H3;3-7H,8H2,1-2H3;3-8H,1-2H3,(H,15,18);2-6H,7H2,1H3,(H,14,17).
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide has a molecular weight of 1657.93 g/mol, XLogP of 6.12, 20 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-2-methylsulfonylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 159146027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).