N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H20Cl2N4O3S — CID 91607964

IUPACN-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20Cl2N4O3S/c1-13-11-19-25-14(2)20(21(28(19)26-13)15-9-10-17(23)18(24)12-15)22(29)27(3)32(30,31)16-7-5-4-6-8-16/h4-12,20-21H,1-3H3
InChIKeyVHCOGEIPGUPIBX-UHFFFAOYSA-N
MW491.40 g/mol
LogP4.66
Rot. Bonds4

About N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 91607964) has the molecular formula C22H20Cl2N4O3S and a molecular weight of 491.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID91607964
Molecular FormulaC22H20Cl2N4O3S
Molecular Weight491.40 g/mol
Exact Mass490.06
IUPAC NameN-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20Cl2N4O3S/c1-13-11-19-25-14(2)20(21(28(19)26-13)15-9-10-17(23)18(24)12-15)22(29)27(3)32(30,31)16-7-5-4-6-8-16/h4-12,20-21H,1-3H3
InChIKeyVHCOGEIPGUPIBX-UHFFFAOYSA-N
XLogP4.66
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91555069
N-(2-cyanoethyl)-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90817068
7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyrrolidin-1-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91081243
6-butylsulfonyl-7-(3,4-dichlorophenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91372005
(4-benzylpiperazin-1-yl)-[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 91097833
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 91288637
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 90955731
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 91543520
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90990875
[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 91102748
[2-chloro-7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 90775988
7-(3,4-dichlorophenyl)-5-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91591488

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 91607964) is N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VHCOGEIPGUPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3S/c1-13-11-19-25-14(2)20(21(28(19)26-13)15-9-10-17(23)18(24)12-15)22(29)27(3)32(30,31)16-7-5-4-6-8-16/h4-12,20-21H,1-3H3.
What are the key properties of N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 491.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-7-(3,4-dichlorophenyl)-N,2,5-trimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 91607964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).