3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C18H14N4O — CID 71708886

IUPAC3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cnn2c(-c3ccncc3)ccnc12
InChIInChI=1S/C18H14N4O/c1-23-17-5-3-2-4-14(17)15-12-21-22-16(8-11-20-18(15)22)13-6-9-19-10-7-13/h2-12H,1H3
InChIKeyKJTUQAJXIXYAEU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.47
Rot. Bonds3

About 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 71708886) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID71708886
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cnn2c(-c3ccncc3)ccnc12
InChIInChI=1S/C18H14N4O/c1-23-17-5-3-2-4-14(17)15-12-21-22-16(8-11-20-18(15)22)13-6-9-19-10-7-13/h2-12H,1H3
InChIKeyKJTUQAJXIXYAEU-UHFFFAOYSA-N
XLogP3.47
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 56737889
3-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 28866691
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141119651
5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 141184022
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
3-(2-methoxyphenyl)pyridine
CID 4133297
6-(2-methoxyphenyl)-8-pyridin-4-ylimidazo[1,5-a]pyridine
CID 134804998
4-[3-[4-(2-methoxyphenyl)-3-pyridinyl]imidazol-4-yl]benzonitrile
CID 71571264

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 71708886) is 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1cnn2c(-c3ccncc3)ccnc12.
What is the InChIKey of 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KJTUQAJXIXYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-17-5-3-2-4-14(17)15-12-21-22-16(8-11-20-18(15)22)13-6-9-19-10-7-13/h2-12H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 302.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71708886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).