5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H14ClN5O — CID 136509837

IUPAC5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1nccc1-c1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H14ClN5O/c1-2-22-15(7-8-19-22)13-10-20-23-16(24)9-14(21-17(13)23)11-3-5-12(18)6-4-11/h3-10,20H,2H2,1H3
InChIKeyIFPVYIOFWYHOJP-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.23
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 136509837) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID136509837
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1nccc1-c1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H14ClN5O/c1-2-22-15(7-8-19-22)13-10-20-23-16(24)9-14(21-17(13)23)11-3-5-12(18)6-4-11/h3-10,20H,2H2,1H3
InChIKeyIFPVYIOFWYHOJP-UHFFFAOYSA-N
XLogP3.23
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 136509837) is 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1nccc1-c1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IFPVYIOFWYHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-2-22-15(7-8-19-22)13-10-20-23-16(24)9-14(21-17(13)23)11-3-5-12(18)6-4-11/h3-10,20H,2H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 339.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-ethylpyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 136509837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).