N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine

C23H30N4O2S — CID 58357656

IUPACN-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine
SMILESCCc1nn2c(C)c(CNC3CCCCC3)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30N4O2S/c1-4-21-22(30(28,29)19-13-9-6-10-14-19)23-25-16(2)20(17(3)27(23)26-21)15-24-18-11-7-5-8-12-18/h6,9-10,13-14,18,24H,4-5,7-8,11-12,15H2,1-3H3
InChIKeyOTGZNHNYMZDWEK-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.16
Rot. Bonds6

About N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine

N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine (PubChem CID 58357656) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine
PubChem CID58357656
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine
SMILESCCc1nn2c(C)c(CNC3CCCCC3)c(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30N4O2S/c1-4-21-22(30(28,29)19-13-9-6-10-14-19)23-25-16(2)20(17(3)27(23)26-21)15-24-18-11-7-5-8-12-18/h6,9-10,13-14,18,24H,4-5,7-8,11-12,15H2,1-3H3
InChIKeyOTGZNHNYMZDWEK-UHFFFAOYSA-N
XLogP4.16
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylethanamine;hydrochloride
CID 123432737
3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-amine;hydrochloride
CID 123208146
N-[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 58357791
3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656
ethyl 2-[2-ethyl-5,7-dimethyl-3-(4-propan-2-ylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 58357787
6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189981
1-[3-(3-chloro-4-fluorophenyl)sulfonyl-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylmethanamine
CID 58357809
6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine;hydrochloride
CID 46189931
6-(aminomethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 46189984
N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 63346685
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine (CID 58357656) is N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine is CCc1nn2c(C)c(CNC3CCCCC3)c(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine?
The InChIKey is OTGZNHNYMZDWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-4-21-22(30(28,29)19-13-9-6-10-14-19)23-25-16(2)20(17(3)27(23)26-21)15-24-18-11-7-5-8-12-18/h6,9-10,13-14,18,24H,4-5,7-8,11-12,15H2,1-3H3.
What are the key properties of N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine?
N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine has a molecular weight of 426.59 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]cyclohexanamine is sourced from PubChem (CID 58357656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).