7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine

C16H15Cl2N3 — CID 82274439

IUPAC7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3cccc(Cl)c3)cnn2c(Cl)c1C(C)C
InChIInChI=1S/C16H15Cl2N3/c1-9(2)14-10(3)20-16-13(8-19-21(16)15(14)18)11-5-4-6-12(17)7-11/h4-9H,1-3H3
InChIKeyUDHUCWNXULMCRN-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.13
Rot. Bonds2

About 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274439) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82274439
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3cccc(Cl)c3)cnn2c(Cl)c1C(C)C
InChIInChI=1S/C16H15Cl2N3/c1-9(2)14-10(3)20-16-13(8-19-21(16)15(14)18)11-5-4-6-12(17)7-11/h4-9H,1-3H3
InChIKeyUDHUCWNXULMCRN-UHFFFAOYSA-N
XLogP5.13
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
CID 126625276
5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 82274624
6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 69176706
3-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628888
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514541
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
3-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 40771635
N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 34956966
N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299143

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 82274439) is 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3cccc(Cl)c3)cnn2c(Cl)c1C(C)C.
What is the InChIKey of 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UDHUCWNXULMCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-9(2)14-10(3)20-16-13(8-19-21(16)15(14)18)11-5-4-6-12(17)7-11/h4-9H,1-3H3.
What are the key properties of 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 320.22 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).