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

C20H21N5O2 — CID 98132995

IUPAC5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ccc(-c2cc(=O)n3[nH]c(COC)c(-c4ccc(C)cc4)c3n2)n1
InChIInChI=1S/C20H21N5O2/c1-4-24-10-9-15(22-24)16-11-18(26)25-20(21-16)19(17(23-25)12-27-3)14-7-5-13(2)6-8-14/h5-11,23H,4,12H2,1-3H3
InChIKeyUWAFTVKQOSPOMT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.03
Rot. Bonds5

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

5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98132995) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98132995
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ccc(-c2cc(=O)n3[nH]c(COC)c(-c4ccc(C)cc4)c3n2)n1
InChIInChI=1S/C20H21N5O2/c1-4-24-10-9-15(22-24)16-11-18(26)25-20(21-16)19(17(23-25)12-27-3)14-7-5-13(2)6-8-14/h5-11,23H,4,12H2,1-3H3
InChIKeyUWAFTVKQOSPOMT-UHFFFAOYSA-N
XLogP3.03
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98132995) is 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ccc(-c2cc(=O)n3[nH]c(COC)c(-c4ccc(C)cc4)c3n2)n1.
What is the InChIKey of 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UWAFTVKQOSPOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-4-24-10-9-15(22-24)16-11-18(26)25-20(21-16)19(17(23-25)12-27-3)14-7-5-13(2)6-8-14/h5-11,23H,4,12H2,1-3H3.
What are the key properties of 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 363.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-3-yl)-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98132995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).