2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol

C19H14ClN3O — CID 135750248

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2ccnc3cc(-c4ccc(Cl)cc4)nn23)c1
InChIInChI=1S/C19H14ClN3O/c1-12-2-7-18(24)15(10-12)17-8-9-21-19-11-16(22-23(17)19)13-3-5-14(20)6-4-13/h2-11,24H,1H3
InChIKeyJZZCCLRWJNJEEV-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.73
Rot. Bonds2

About 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol (PubChem CID 135750248) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
PubChem CID135750248
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2ccnc3cc(-c4ccc(Cl)cc4)nn23)c1
InChIInChI=1S/C19H14ClN3O/c1-12-2-7-18(24)15(10-12)17-8-9-21-19-11-16(22-23(17)19)13-3-5-14(20)6-4-13/h2-11,24H,1H3
InChIKeyJZZCCLRWJNJEEV-UHFFFAOYSA-N
XLogP4.73
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135939559
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
6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1280151
4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135973862
2-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 86760503
2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-nitrophenol
CID 135973863
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane
CID 132535846
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
4-methyl-2-(2-methyl-4-pyridinyl)phenol
CID 136955352
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
2-[6-[5-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-3-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 173248667

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol (CID 135750248) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol is Cc1ccc(O)c(-c2ccnc3cc(-c4ccc(Cl)cc4)nn23)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol?
The InChIKey is JZZCCLRWJNJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-2-7-18(24)15(10-12)17-8-9-21-19-11-16(22-23(17)19)13-3-5-14(20)6-4-13/h2-11,24H,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol has a molecular weight of 335.79 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol is sourced from PubChem (CID 135750248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).