5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine

C15H13Cl2N3 — CID 104621767

IUPAC5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)c(-c3ccccc3C)c(Cl)nc12
InChIInChI=1S/C15H13Cl2N3/c1-3-10-8-18-20-14(17)12(13(16)19-15(10)20)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3
InChIKeyJZDFOEOAWOEADD-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.57
Rot. Bonds2

About 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104621767) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104621767
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)c(-c3ccccc3C)c(Cl)nc12
InChIInChI=1S/C15H13Cl2N3/c1-3-10-8-18-20-14(17)12(13(16)19-15(10)20)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3
InChIKeyJZDFOEOAWOEADD-UHFFFAOYSA-N
XLogP4.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 113433952
7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274393
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274804
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
3-ethyl-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 145164018
5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141272199
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
CID 79421873

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 104621767) is 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine is CCc1cnn2c(Cl)c(-c3ccccc3C)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JZDFOEOAWOEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-3-10-8-18-20-14(17)12(13(16)19-15(10)20)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3.
What are the key properties of 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 306.20 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).