N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H31N7O3S — CID 58938347

IUPACN-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(C(=O)NCCN(C)C)nc12
InChIInChI=1S/C22H31N7O3S/c1-15(2)18-14-24-29-20(13-19(26-21(18)29)22(30)23-11-12-27(3)4)25-16-7-9-17(10-8-16)33(31,32)28(5)6/h7-10,13-15,25H,11-12H2,1-6H3,(H,23,30)
InChIKeySLQPDMIYVGSWQV-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.14
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58938347) has the molecular formula C22H31N7O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58938347
Molecular FormulaC22H31N7O3S
Molecular Weight473.60 g/mol
Exact Mass473.22
IUPAC NameN-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(C(=O)NCCN(C)C)nc12
InChIInChI=1S/C22H31N7O3S/c1-15(2)18-14-24-29-20(13-19(26-21(18)29)22(30)23-11-12-27(3)4)25-16-7-9-17(10-8-16)33(31,32)28(5)6/h7-10,13-15,25H,11-12H2,1-6H3,(H,23,30)
InChIKeySLQPDMIYVGSWQV-UHFFFAOYSA-N
XLogP2.14
TPSA111.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58938347) is N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(C(=O)NCCN(C)C)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is SLQPDMIYVGSWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O3S/c1-15(2)18-14-24-29-20(13-19(26-21(18)29)22(30)23-11-12-27(3)4)25-16-7-9-17(10-8-16)33(31,32)28(5)6/h7-10,13-15,25H,11-12H2,1-6H3,(H,23,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58938347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).