4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol

C21H19N3O — CID 135973862

IUPAC4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESCCc1ccc(O)c(-c2ccnc3cc(-c4ccccc4C)nn23)c1
InChIInChI=1S/C21H19N3O/c1-3-15-8-9-20(25)17(12-15)19-10-11-22-21-13-18(23-24(19)21)16-7-5-4-6-14(16)2/h4-13,25H,3H2,1-2H3
InChIKeyZZFCPRGNAXVPEV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.64
Rot. Bonds3

About 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol

4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol (PubChem CID 135973862) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol.

Molecular Properties

Compound Name4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
PubChem CID135973862
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESCCc1ccc(O)c(-c2ccnc3cc(-c4ccccc4C)nn23)c1
InChIInChI=1S/C21H19N3O/c1-3-15-8-9-20(25)17(12-15)19-10-11-22-21-13-18(23-24(19)21)16-7-5-4-6-14(16)2/h4-13,25H,3H2,1-2H3
InChIKeyZZFCPRGNAXVPEV-UHFFFAOYSA-N
XLogP4.64
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenol
CID 135973863
4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135939559
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
CID 135750248
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
CID 135634342
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
CID 137013099
4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
CID 158793736
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
4-ethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenyl]phenol
CID 175530208
1-[4-ethyl-2-(2-methylphenyl)phenyl]ethanone
CID 20665286
N'-[5-ethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270644
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The IUPAC name of 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol (CID 135973862) is 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol.
What is the SMILES notation for 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The canonical SMILES for 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol is CCc1ccc(O)c(-c2ccnc3cc(-c4ccccc4C)nn23)c1.
What is the InChIKey of 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The InChIKey is ZZFCPRGNAXVPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-15-8-9-20(25)17(12-15)19-10-11-22-21-13-18(23-24(19)21)16-7-5-4-6-14(16)2/h4-13,25H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol has a molecular weight of 329.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol is sourced from PubChem (CID 135973862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).