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

C20H16ClN3O2 — CID 135750242

IUPAC4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol
SMILESCOc1ccc(-c2cc3nccc(-c4cc(Cl)c(C)cc4O)n3n2)cc1
InChIInChI=1S/C20H16ClN3O2/c1-12-9-19(25)15(10-16(12)21)18-7-8-22-20-11-17(23-24(18)20)13-3-5-14(26-2)6-4-13/h3-11,25H,1-2H3
InChIKeySATVMQLIQHFHEL-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.74
Rot. Bonds3

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

4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol (PubChem CID 135750242) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol.

Molecular Properties

Compound Name4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol
PubChem CID135750242
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol
SMILESCOc1ccc(-c2cc3nccc(-c4cc(Cl)c(C)cc4O)n3n2)cc1
InChIInChI=1S/C20H16ClN3O2/c1-12-9-19(25)15(10-16(12)21)18-7-8-22-20-11-17(23-24(18)20)13-3-5-14(26-2)6-4-13/h3-11,25H,1-2H3
InChIKeySATVMQLIQHFHEL-UHFFFAOYSA-N
XLogP4.74
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
1-{1-[5-Chloro-2-methoxy-4-methyl-3-(1-methylpiperidin-4-yl)phenyl]ethyl}-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 86677746
2-(4-chlorophenyl)-10-methyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine
CID 17757036
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 24774843
2-(3-Chlorophenyl)-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 24775658
2-(4-Chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24775939
7-(3-Cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 24775943
2-(3-Chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24776042
4-Chloro-5-methyl-2-(2-phenylpyrazolo[1,5-A]pyrimidin-7-YL)phenol
CID 135750240
6-(3-Chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 155539504
10-Chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole
CID 162662979
6-(3-Chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 1485553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol?
The IUPAC name of 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol (CID 135750242) is 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol.
What is the SMILES notation for 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol?
The canonical SMILES for 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol is COc1ccc(-c2cc3nccc(-c4cc(Cl)c(C)cc4O)n3n2)cc1.
What is the InChIKey of 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol?
The InChIKey is SATVMQLIQHFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-12-9-19(25)15(10-16(12)21)18-7-8-22-20-11-17(23-24(18)20)13-3-5-14(26-2)6-4-13/h3-11,25H,1-2H3.
What are the key properties of 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol?
4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol has a molecular weight of 365.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol is sourced from PubChem (CID 135750242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).