2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C14H12ClN3 — CID 738354

IUPAC2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C14H12ClN3/c1-9-7-10(2)18-14(16-9)8-13(17-18)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyNZEXBHPZEQDICK-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.67
Rot. Bonds1

About 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 738354) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID738354
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C14H12ClN3/c1-9-7-10(2)18-14(16-9)8-13(17-18)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyNZEXBHPZEQDICK-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

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
PD-171729
CID 9800614

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 738354) is 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NZEXBHPZEQDICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-7-10(2)18-14(16-9)8-13(17-18)11-3-5-12(15)6-4-11/h3-8H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-(4-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 2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 738354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).