3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride

C18H24ClN5O2S — CID 46190033

IUPAC3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
SMILESCNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14;/h6-10H,11H2,1-5H3,(H,19,21);1H
InChIKeyQTHWVFJAOCKBQR-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.70
Rot. Bonds5

About 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride

3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride (PubChem CID 46190033) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
PubChem CID46190033
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC Name3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
SMILESCNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14;/h6-10H,11H2,1-5H3,(H,19,21);1H
InChIKeyQTHWVFJAOCKBQR-UHFFFAOYSA-N
XLogP2.70
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656
6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189981
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine;hydrochloride
CID 46189931
6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
6-(aminomethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 46189984
6-(2-aminoethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189990
2-[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylethanamine;hydrochloride
CID 123432737
3-(benzenesulfonyl)-2-N,7-N,7-N,5-tetramethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
CID 56849579
3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
6-[(dimethylamino)methyl]-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 70895409
3-(benzenesulfonyl)-7-[2-(dimethylamino)ethyl]-2-N,6-N-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2,6-diamine
CID 142758108
3-(3-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357783

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride (CID 46190033) is 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride is CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
The InChIKey is QTHWVFJAOCKBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.ClH/c1-12-15(11-22(4)5)13(2)23-18(20-12)16(17(19-3)21-23)26(24,25)14-9-7-6-8-10-14;/h6-10H,11H2,1-5H3,(H,19,21);1H.
What are the key properties of 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 46190033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).