ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H12N4O2 — CID 12766264

IUPACethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccncc3)ccnc12
InChIInChI=1S/C14H12N4O2/c1-2-20-14(19)11-9-17-18-12(5-8-16-13(11)18)10-3-6-15-7-4-10/h3-9H,2H2,1H3
InChIKeyMWOUXBMHBYZGQN-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.97
Rot. Bonds3

About ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 12766264) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID12766264
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Nameethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccncc3)ccnc12
InChIInChI=1S/C14H12N4O2/c1-2-20-14(19)11-9-17-18-12(5-8-16-13(11)18)10-3-6-15-7-4-10/h3-9H,2H2,1H3
InChIKeyMWOUXBMHBYZGQN-UHFFFAOYSA-N
XLogP1.97
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 12766264) is ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3ccncc3)ccnc12.
What is the InChIKey of ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is MWOUXBMHBYZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-20-14(19)11-9-17-18-12(5-8-16-13(11)18)10-3-6-15-7-4-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 12766264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).