3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine

C21H26N4O2 — CID 142400735

IUPAC3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCC(C)C4)cc(C)nc23)cc1OC
InChIInChI=1S/C21H26N4O2/c1-13-8-9-24(12-13)19-10-14(2)22-21-20(15(3)23-25(19)21)16-6-7-17(26-4)18(11-16)27-5/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyHKLUNZHYBAXNSF-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.88
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 142400735) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID142400735
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCC(C)C4)cc(C)nc23)cc1OC
InChIInChI=1S/C21H26N4O2/c1-13-8-9-24(12-13)19-10-14(2)22-21-20(15(3)23-25(19)21)16-6-7-17(26-4)18(11-16)27-5/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyHKLUNZHYBAXNSF-UHFFFAOYSA-N
XLogP3.88
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine
CID 7599051
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4911370
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16674762
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
3-(3,4-dimethoxyphenyl)-2-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 22332914
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20861647
4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 60603585
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 92665010

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 142400735) is 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c(N4CCC(C)C4)cc(C)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HKLUNZHYBAXNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-8-9-24(12-13)19-10-14(2)22-21-20(15(3)23-25(19)21)16-6-7-17(26-4)18(11-16)27-5/h6-7,10-11,13H,8-9,12H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142400735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).