7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H21N3O2 — CID 136838062

IUPAC7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3c(C)c(C)nn32)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-10-11(2)18-19-14(7-8-17-16(10)19)13-6-5-12(20-3)9-15(13)21-4/h5-6,9,14,17H,7-8H2,1-4H3
InChIKeyYRWYRAAFLVKRBU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.92
Rot. Bonds3

About 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838062) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838062
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3c(C)c(C)nn32)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-10-11(2)18-19-14(7-8-17-16(10)19)13-6-5-12(20-3)9-15(13)21-4/h5-6,9,14,17H,7-8H2,1-4H3
InChIKeyYRWYRAAFLVKRBU-UHFFFAOYSA-N
XLogP2.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137011955
7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067733
9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841401
9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841410
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
(2R)-1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596316
(5S,7R)-7-(2,4-dimethoxyphenyl)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136854101
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124721396
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 95788624
2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 40686773

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838062) is 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is COc1ccc(C2CCNc3c(C)c(C)nn32)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YRWYRAAFLVKRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-11(2)18-19-14(7-8-17-16(10)19)13-6-5-12(20-3)9-15(13)21-4/h5-6,9,14,17H,7-8H2,1-4H3.
What are the key properties of 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 287.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).