2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile

C16H14N4O2 — CID 82272140

IUPAC2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
SMILESCOc1cc(OC)cc(-c2nn3cccnc3c2CC#N)c1
InChIInChI=1S/C16H14N4O2/c1-21-12-8-11(9-13(10-12)22-2)15-14(4-5-17)16-18-6-3-7-20(16)19-15/h3,6-10H,4H2,1-2H3
InChIKeyJIRYZQJKSALOLL-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile

2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile (PubChem CID 82272140) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
PubChem CID82272140
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
SMILESCOc1cc(OC)cc(-c2nn3cccnc3c2CC#N)c1
InChIInChI=1S/C16H14N4O2/c1-21-12-8-11(9-13(10-12)22-2)15-14(4-5-17)16-18-6-3-7-20(16)19-15/h3,6-10H,4H2,1-2H3
InChIKeyJIRYZQJKSALOLL-UHFFFAOYSA-N
XLogP2.48
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
CID 82272012
2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 82272264
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
CID 165459430
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
2-(2-methoxy-4-pyrazol-1-ylphenyl)acetonitrile
CID 59343517
[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 82271926
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82271984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile (CID 82272140) is 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile is COc1cc(OC)cc(-c2nn3cccnc3c2CC#N)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
The InChIKey is JIRYZQJKSALOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-21-12-8-11(9-13(10-12)22-2)15-14(4-5-17)16-18-6-3-7-20(16)19-15/h3,6-10H,4H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile?
2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile has a molecular weight of 294.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile is sourced from PubChem (CID 82272140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).