7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine

C24H19ClN4 — CID 141325533

IUPAC7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2c(C)nn3c(-c4cccc(Cl)c4)cc(-n4cccc4)nc23)cc1
InChIInChI=1S/C24H19ClN4/c1-16-8-10-18(11-9-16)23-17(2)27-29-21(19-6-5-7-20(25)14-19)15-22(26-24(23)29)28-12-3-4-13-28/h3-15H,1-2H3
InChIKeyWZBFKRWBSSVTTJ-UHFFFAOYSA-N
MW398.90 g/mol
LogP6.12
Rot. Bonds3

About 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine

7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 141325533) has the molecular formula C24H19ClN4 and a molecular weight of 398.90 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID141325533
Molecular FormulaC24H19ClN4
Molecular Weight398.90 g/mol
Exact Mass398.13
IUPAC Name7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2c(C)nn3c(-c4cccc(Cl)c4)cc(-n4cccc4)nc23)cc1
InChIInChI=1S/C24H19ClN4/c1-16-8-10-18(11-9-16)23-17(2)27-29-21(19-6-5-7-20(25)14-19)15-22(26-24(23)29)28-12-3-4-13-28/h3-15H,1-2H3
InChIKeyWZBFKRWBSSVTTJ-UHFFFAOYSA-N
XLogP6.12
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.90
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethyl)phenyl]-7-(3-fluorophenyl)-2-methyl-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
CID 141442560
2-ethyl-7-(3-fluorophenyl)-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
CID 141325513
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
[1-[7-(3,4-difluorophenyl)-2-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 56932849
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 8707777
7-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56920453
7-chloro-2-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 71531321
8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine
CID 134717316
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
5-tert-butyl-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3487393

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine (CID 141325533) is 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2c(C)nn3c(-c4cccc(Cl)c4)cc(-n4cccc4)nc23)cc1.
What is the InChIKey of 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WZBFKRWBSSVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4/c1-16-8-10-18(11-9-16)23-17(2)27-29-21(19-6-5-7-20(25)14-19)15-22(26-24(23)29)28-12-3-4-13-28/h3-15H,1-2H3.
What are the key properties of 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine?
7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 398.90 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141325533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).