ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride

C14H19ClN4O3 — CID 137251710

IUPACethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9;/h7-9,15H,2-6H2,1H3,(H,17,19);1H
InChIKeyVBFGZEMDZKZDQD-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.09
Rot. Bonds3

About ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride

ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride (PubChem CID 137251710) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
PubChem CID137251710
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Nameethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9;/h7-9,15H,2-6H2,1H3,(H,17,19);1H
InChIKeyVBFGZEMDZKZDQD-UHFFFAOYSA-N
XLogP1.09
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride (CID 137251710) is ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride is CCOC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
What is the InChIKey of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
The InChIKey is VBFGZEMDZKZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9;/h7-9,15H,2-6H2,1H3,(H,17,19);1H.
What are the key properties of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 137251710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).