3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine

C20H15ClFN3O — CID 3819584

IUPAC3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3cc2C)cc1F
InChIInChI=1S/C20H15ClFN3O/c1-12-11-25-20(16(10-23-25)13-3-6-15(21)7-4-13)24-19(12)14-5-8-18(26-2)17(22)9-14/h3-11H,1-2H3
InChIKeyGAJGJRWSPSTJNW-UHFFFAOYSA-N
MW367.81 g/mol
LogP5.17
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 3819584) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine
PubChem CID3819584
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3cc2C)cc1F
InChIInChI=1S/C20H15ClFN3O/c1-12-11-25-20(16(10-23-25)13-3-6-15(21)7-4-13)24-19(12)14-5-8-18(26-2)17(22)9-14/h3-11H,1-2H3
InChIKeyGAJGJRWSPSTJNW-UHFFFAOYSA-N
XLogP5.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.81
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-42491293
CID 71461395
N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
Pyrazolo[1,5-a]-1,3,5-triazine, 12-36
CID 42618198

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine (CID 3819584) is 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3cc2C)cc1F.
What is the InChIKey of 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GAJGJRWSPSTJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-12-11-25-20(16(10-23-25)13-3-6-15(21)7-4-13)24-19(12)14-5-8-18(26-2)17(22)9-14/h3-11H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 367.81 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3819584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).