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

C14H17N3O2 — CID 136840975

IUPAC7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3ccnn32)cc1OC
InChIInChI=1S/C14H17N3O2/c1-18-12-4-3-10(9-13(12)19-2)11-5-7-15-14-6-8-16-17(11)14/h3-4,6,8-9,11,15H,5,7H2,1-2H3
InChIKeyDIVQXZJWVQNVKJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds3

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

7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840975) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840975
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3ccnn32)cc1OC
InChIInChI=1S/C14H17N3O2/c1-18-12-4-3-10(9-13(12)19-2)11-5-7-15-14-6-8-16-17(11)14/h3-4,6,8-9,11,15H,5,7H2,1-2H3
InChIKeyDIVQXZJWVQNVKJ-UHFFFAOYSA-N
XLogP2.31
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837532
7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840948
7-(3-fluoro-4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709277
7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840908
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 92613045
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838613
(7S)-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137129590
7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 137012178
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166
7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838152

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840975) is 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is COc1ccc(C2CCNc3ccnn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DIVQXZJWVQNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-4-3-10(9-13(12)19-2)11-5-7-15-14-6-8-16-17(11)14/h3-4,6,8-9,11,15H,5,7H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 2.31, 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)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).