2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide

C19H22N4O3 — CID 118741383

IUPAC2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(OC)c1-c1ccnc2cc(CC(=O)NC(C)C)nn12
InChIInChI=1S/C19H22N4O3/c1-12(2)21-18(24)11-13-10-17-20-9-8-14(23(17)22-13)19-15(25-3)6-5-7-16(19)26-4/h5-10,12H,11H2,1-4H3,(H,21,24)
InChIKeyMQKJEAUTZVYEJR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds6

About 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide

2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide (PubChem CID 118741383) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide
PubChem CID118741383
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(OC)c1-c1ccnc2cc(CC(=O)NC(C)C)nn12
InChIInChI=1S/C19H22N4O3/c1-12(2)21-18(24)11-13-10-17-20-9-8-14(23(17)22-13)19-15(25-3)6-5-7-16(19)26-4/h5-10,12H,11H2,1-4H3,(H,21,24)
InChIKeyMQKJEAUTZVYEJR-UHFFFAOYSA-N
XLogP2.48
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide (CID 118741383) is 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide is COc1cccc(OC)c1-c1ccnc2cc(CC(=O)NC(C)C)nn12.
What is the InChIKey of 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is MQKJEAUTZVYEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)21-18(24)11-13-10-17-20-9-8-14(23(17)22-13)19-15(25-3)6-5-7-16(19)26-4/h5-10,12H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide?
2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 354.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,6-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 118741383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).