4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol

C15H19N3O3 — CID 136709899

IUPAC4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESCOC(OC)C1CCNc2cc(-c3ccc(O)cc3)nn21
InChIInChI=1S/C15H19N3O3/c1-20-15(21-2)13-7-8-16-14-9-12(17-18(13)14)10-3-5-11(19)6-4-10/h3-6,9,13,15-16,19H,7-8H2,1-2H3
InChIKeyJWXJZBRYRWLTEY-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.23
Rot. Bonds4

About 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol

4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol (PubChem CID 136709899) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
PubChem CID136709899
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESCOC(OC)C1CCNc2cc(-c3ccc(O)cc3)nn21
InChIInChI=1S/C15H19N3O3/c1-20-15(21-2)13-7-8-16-14-9-12(17-18(13)14)10-3-5-11(19)6-4-10/h3-6,9,13,15-16,19H,7-8H2,1-2H3
InChIKeyJWXJZBRYRWLTEY-UHFFFAOYSA-N
XLogP2.23
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-propan-2-yl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838267
7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837460
7-(dimethoxymethyl)-2-heptan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838293
3-bromo-7-(dimethoxymethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841619
7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709454
2-(4-methylphenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709447
7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709452
2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838829
2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709464
7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709468
7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709469
7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012005

Frequently Asked Questions

What is the IUPAC name of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol (CID 136709899) is 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol is COC(OC)C1CCNc2cc(-c3ccc(O)cc3)nn21.
What is the InChIKey of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The InChIKey is JWXJZBRYRWLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-15(21-2)13-7-8-16-14-9-12(17-18(13)14)10-3-5-11(19)6-4-10/h3-6,9,13,15-16,19H,7-8H2,1-2H3.
What are the key properties of 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol has a molecular weight of 289.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136709899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).