3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C14H12ClN3 — CID 6500069

IUPAC3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C14H12ClN3/c1-9-6-10(2)18-14(17-9)13(8-16-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3
InChIKeyPQUAPVKMRDYBMW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.67
Rot. Bonds1

About 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 6500069) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID6500069
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C14H12ClN3/c1-9-6-10(2)18-14(17-9)13(8-16-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3
InChIKeyPQUAPVKMRDYBMW-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838604
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439
N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299143
5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 51345972
7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 105481983
N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3771010
N-(2-chloro-6-methylphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 46394961
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 15285472

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 6500069) is 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PQUAPVKMRDYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-6-10(2)18-14(17-9)13(8-16-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 257.72 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 6500069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).