methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate

C21H26N4O3 — CID 59777431

IUPACmethyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
SMILESCCN(CC(=O)OC)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C21H26N4O3/c1-7-24(12-19(26)28-6)18-11-14(3)22-21-20(15(4)23-25(18)21)17-9-8-16(27-5)10-13(17)2/h8-11H,7,12H2,1-6H3
InChIKeyJJWBDNWDYMAFIM-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.33
Rot. Bonds6

About methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate

methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate (PubChem CID 59777431) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
PubChem CID59777431
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Namemethyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
SMILESCCN(CC(=O)OC)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C21H26N4O3/c1-7-24(12-19(26)28-6)18-11-14(3)22-21-20(15(4)23-25(18)21)17-9-8-16(27-5)10-13(17)2/h8-11H,7,12H2,1-6H3
InChIKeyJJWBDNWDYMAFIM-UHFFFAOYSA-N
XLogP3.33
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate with MolForge

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Related Compounds

N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 70842639
10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178105
N-cyclobutyl-N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177831
10-(4-methoxy-2-methylphenyl)-11-methyl-N,N-bis(prop-2-enyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22178056
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11351594
3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 22177772
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11509641
3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 67393740
N-(2-ethylbutyl)-10-(4-methoxy-2-methylphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22178069
10-(4-methoxy-2-methylphenyl)-11-methyl-N-(3-methylbutan-2-yl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177783
N-[(2E)-2-methoxyiminoethyl]-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 22177964
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11676421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate (CID 59777431) is methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate is CCN(CC(=O)OC)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12.
What is the InChIKey of methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The InChIKey is JJWBDNWDYMAFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-7-24(12-19(26)28-6)18-11-14(3)22-21-20(15(4)23-25(18)21)17-9-8-16(27-5)10-13(17)2/h8-11H,7,12H2,1-6H3.
What are the key properties of methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate has a molecular weight of 382.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[3-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate is sourced from PubChem (CID 59777431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).