7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H23Cl2N5O4S — CID 135463485

IUPAC7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(C(=O)C1=C(C)Nc2cc(C)nn2C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CON=C1C
InChIInChI=1S/C21H23Cl2N5O4S/c1-5-27(33(30,31)17-10-32-26-12(17)3)21(29)19-13(4)24-18-8-11(2)25-28(18)20(19)14-6-7-15(22)16(23)9-14/h6-9,17,20,24H,5,10H2,1-4H3
InChIKeyUTXWJMVJGGJVEC-UHFFFAOYSA-N
MW512.42 g/mol
LogP3.74
Rot. Bonds5

About 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135463485) has the molecular formula C21H23Cl2N5O4S and a molecular weight of 512.42 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135463485
Molecular FormulaC21H23Cl2N5O4S
Molecular Weight512.42 g/mol
Exact Mass511.08
IUPAC Name7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(C(=O)C1=C(C)Nc2cc(C)nn2C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CON=C1C
InChIInChI=1S/C21H23Cl2N5O4S/c1-5-27(33(30,31)17-10-32-26-12(17)3)21(29)19-13(4)24-18-8-11(2)25-28(18)20(19)14-6-7-15(22)16(23)9-14/h6-9,17,20,24H,5,10H2,1-4H3
InChIKeyUTXWJMVJGGJVEC-UHFFFAOYSA-N
XLogP3.74
TPSA105.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135463481
7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843758
7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843739
7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843961
[7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135528474
[(7R)-7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450119
tert-butyl 7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate;7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid;trimethylsilyl trifluoromethanesulfonate
CID 158730340
7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135463504
4-[[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]sulfonyl]morpholine
CID 135463476
tert-butyl 2-[[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]-methylamino]acetate
CID 135844118
N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843918
[2-chloro-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-[(E)-2-methoxyethenyl]pyrrolidin-1-yl]methanone
CID 142067460

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135463485) is 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(C(=O)C1=C(C)Nc2cc(C)nn2C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CON=C1C.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UTXWJMVJGGJVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O4S/c1-5-27(33(30,31)17-10-32-26-12(17)3)21(29)19-13(4)24-18-8-11(2)25-28(18)20(19)14-6-7-15(22)16(23)9-14/h6-9,17,20,24H,5,10H2,1-4H3.
What are the key properties of 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 512.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135463485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).