N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine

C23H33N5O2 — CID 1441364

IUPACN-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCN(CC)CC
InChIInChI=1S/C23H33N5O2/c1-7-20-16(4)25-22-15-21(17-12-18(29-5)14-19(13-17)30-6)26-28(22)23(20)24-10-11-27(8-2)9-3/h12-15,24H,7-11H2,1-6H3
InChIKeyLFLMWPOVQFJGOQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.04
Rot. Bonds10

About N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine

N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 1441364) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID1441364
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCN(CC)CC
InChIInChI=1S/C23H33N5O2/c1-7-20-16(4)25-22-15-21(17-12-18(29-5)14-19(13-17)30-6)26-28(22)23(20)24-10-11-27(8-2)9-3/h12-15,24H,7-11H2,1-6H3
InChIKeyLFLMWPOVQFJGOQ-UHFFFAOYSA-N
XLogP4.04
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine (CID 1441364) is N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine is CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCN(CC)CC.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is LFLMWPOVQFJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-7-20-16(4)25-22-15-21(17-12-18(29-5)14-19(13-17)30-6)26-28(22)23(20)24-10-11-27(8-2)9-3/h12-15,24H,7-11H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine?
N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 411.55 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 1441364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).