ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C17H18N4O2 — CID 165166467

IUPACethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C(C)C)nc2)nn2cccnc12
InChIInChI=1S/C17H18N4O2/c1-4-23-17(22)14-15(20-21-9-5-8-18-16(14)21)12-6-7-13(11(2)3)19-10-12/h5-11H,4H2,1-3H3
InChIKeyZFEHWLRQJNGWRE-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.09
Rot. Bonds4

About ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 165166467) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID165166467
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nameethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C(C)C)nc2)nn2cccnc12
InChIInChI=1S/C17H18N4O2/c1-4-23-17(22)14-15(20-21-9-5-8-18-16(14)21)12-6-7-13(11(2)3)19-10-12/h5-11H,4H2,1-3H3
InChIKeyZFEHWLRQJNGWRE-UHFFFAOYSA-N
XLogP3.09
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 165166467) is ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(-c2ccc(C(C)C)nc2)nn2cccnc12.
What is the InChIKey of ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZFEHWLRQJNGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-23-17(22)14-15(20-21-9-5-8-18-16(14)21)12-6-7-13(11(2)3)19-10-12/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 165166467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).