3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H25N5O3S2 — CID 58357630

IUPAC3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCSc1nn2c(C)cc(C(=O)N(C)CCN(C)C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N5O3S2/c1-14-13-16(20(26)24(4)12-11-23(2)3)21-18-17(19(29-5)22-25(14)18)30(27,28)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3
InChIKeyGZVHMHHDCZIHNV-UHFFFAOYSA-N
MW447.59 g/mol
LogP2.23
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58357630) has the molecular formula C20H25N5O3S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58357630
Molecular FormulaC20H25N5O3S2
Molecular Weight447.59 g/mol
Exact Mass447.14
IUPAC Name3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCSc1nn2c(C)cc(C(=O)N(C)CCN(C)C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N5O3S2/c1-14-13-16(20(26)24(4)12-11-23(2)3)21-18-17(19(29-5)22-25(14)18)30(27,28)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3
InChIKeyGZVHMHHDCZIHNV-UHFFFAOYSA-N
XLogP2.23
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[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 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58357630) is 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CSc1nn2c(C)cc(C(=O)N(C)CCN(C)C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is GZVHMHHDCZIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S2/c1-14-13-16(20(26)24(4)12-11-23(2)3)21-18-17(19(29-5)22-25(14)18)30(27,28)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3.
What are the key properties of 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58357630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).