7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane

C16H18ClN3 — CID 143251431

IUPAC7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cc2nc(-c3ccccc3C)cc(Cl)n2n1
InChIInChI=1S/C14H12ClN3.C2H6/c1-9-5-3-4-6-11(9)12-8-13(15)18-14(16-12)7-10(2)17-18;1-2/h3-8H,1-2H3;1-2H3
InChIKeyYRMYYCSCDVGXOG-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.69
Rot. Bonds1

About 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane

7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 143251431) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane
PubChem CID143251431
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cc2nc(-c3ccccc3C)cc(Cl)n2n1
InChIInChI=1S/C14H12ClN3.C2H6/c1-9-5-3-4-6-11(9)12-8-13(15)18-14(16-12)7-10(2)17-18;1-2/h3-8H,1-2H3;1-2H3
InChIKeyYRMYYCSCDVGXOG-UHFFFAOYSA-N
XLogP4.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133090
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
7-(difluoromethyl)-2-methyl-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine
CID 4777118
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
2-chloro-6-(2-methylphenyl)pyridin-4-amine
CID 105473401
5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 122364244
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 58531138
7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-amine;2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine;phenylboronic acid
CID 160911567
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
CID 160589234
CID 160589234
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane (CID 143251431) is 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane is CC.Cc1cc2nc(-c3ccccc3C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is YRMYYCSCDVGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3.C2H6/c1-9-5-3-4-6-11(9)12-8-13(15)18-14(16-12)7-10(2)17-18;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane?
7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 287.79 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 143251431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).