N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine

C19H25N5O2S — CID 52915979

IUPACN-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(C)n2nc(NCCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C19H25N5O2S/c1-14-13-15(2)24-19(21-14)17(18(22-24)20-11-8-12-23(3)4)27(25,26)16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,22)
InChIKeyKRMWCCPAGOXKET-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.54
Rot. Bonds7

About N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine

N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 52915979) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID52915979
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(C)n2nc(NCCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C19H25N5O2S/c1-14-13-15(2)24-19(21-14)17(18(22-24)20-11-8-12-23(3)4)27(25,26)16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,22)
InChIKeyKRMWCCPAGOXKET-UHFFFAOYSA-N
XLogP2.54
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine (CID 52915979) is N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine is Cc1cc(C)n2nc(NCCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KRMWCCPAGOXKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-13-15(2)24-19(21-14)17(18(22-24)20-11-8-12-23(3)4)27(25,26)16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 387.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 52915979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).