N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine

C17H21N5O — CID 59662460

IUPACN-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccccc1-c1cnn2ccc(NCCN(C)C)nc12
InChIInChI=1S/C17H21N5O/c1-21(2)11-9-18-16-8-10-22-17(20-16)14(12-19-22)13-6-4-5-7-15(13)23-3/h4-8,10,12H,9,11H2,1-3H3,(H,18,20)
InChIKeyTVUCYYXQUNUXQM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.38
Rot. Bonds6

About N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 59662460) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID59662460
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccccc1-c1cnn2ccc(NCCN(C)C)nc12
InChIInChI=1S/C17H21N5O/c1-21(2)11-9-18-16-8-10-22-17(20-16)14(12-19-22)13-6-4-5-7-15(13)23-3/h4-8,10,12H,9,11H2,1-3H3,(H,18,20)
InChIKeyTVUCYYXQUNUXQM-UHFFFAOYSA-N
XLogP2.38
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine (CID 59662460) is N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccccc1-c1cnn2ccc(NCCN(C)C)nc12.
What is the InChIKey of N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is TVUCYYXQUNUXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)11-9-18-16-8-10-22-17(20-16)14(12-19-22)13-6-4-5-7-15(13)23-3/h4-8,10,12H,9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 311.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 59662460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).