N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C22H28N4O3 — CID 31285201

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(OCCN(C)C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1
InChIInChI=1S/C22H28N4O3/c1-15-14-21-23-16(2)20(17(3)26(21)24-15)10-11-22(27)25(4)12-13-29-19-8-6-18(28-5)7-9-19/h6-9,14H,10-13H2,1-5H3
InChIKeyQAGIJNKILDXFQN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 31285201) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID31285201
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(OCCN(C)C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1
InChIInChI=1S/C22H28N4O3/c1-15-14-21-23-16(2)20(17(3)26(21)24-15)10-11-22(27)25(4)12-13-29-19-8-6-18(28-5)7-9-19/h6-9,14H,10-13H2,1-5H3
InChIKeyQAGIJNKILDXFQN-UHFFFAOYSA-N
XLogP3.13
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)ethyl 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8783057
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51200959
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-ethyl-N-(2-hydroxyethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 78821683
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38199779
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55465695
N-[2-(4-bromophenoxy)ethyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropanamide
CID 31533208
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 39976214
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55382919
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 38046949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 31285201) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is COc1ccc(OCCN(C)C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is QAGIJNKILDXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-14-21-23-16(2)20(17(3)26(21)24-15)10-11-22(27)25(4)12-13-29-19-8-6-18(28-5)7-9-19/h6-9,14H,10-13H2,1-5H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 31285201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).