7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H19N3O2 — CID 136837532

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3c(C)cnn32)cc1OC
InChIInChI=1S/C15H19N3O2/c1-10-9-17-18-12(6-7-16-15(10)18)11-4-5-13(19-2)14(8-11)20-3/h4-5,8-9,12,16H,6-7H2,1-3H3
InChIKeyYUMVSDZNKOUFJA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.61
Rot. Bonds3

About 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837532) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837532
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3c(C)cnn32)cc1OC
InChIInChI=1S/C15H19N3O2/c1-10-9-17-18-12(6-7-16-15(10)18)11-4-5-13(19-2)14(8-11)20-3/h4-5,8-9,12,16H,6-7H2,1-3H3
InChIKeyYUMVSDZNKOUFJA-UHFFFAOYSA-N
XLogP2.61
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840975
7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709277
3-bromo-7-(2,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840983
7-(3,5-dimethylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841233
7-(3,4-dimethylphenyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837978
7-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839493
ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 170734184
3-bromo-7-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840994
2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole
CID 175962476
7-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3154586
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841180

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837532) is 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is COc1ccc(C2CCNc3c(C)cnn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YUMVSDZNKOUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-9-17-18-12(6-7-16-15(10)18)11-4-5-13(19-2)14(8-11)20-3/h4-5,8-9,12,16H,6-7H2,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).