7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C15H14ClN3O — CID 82269989

IUPAC7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C15H14ClN3O/c1-3-11-8-14(16)19-15(17-11)9-13(18-19)10-4-6-12(20-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyLNRHBLNUROTZFB-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.62
Rot. Bonds3

About 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82269989) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82269989
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C15H14ClN3O/c1-3-11-8-14(16)19-15(17-11)9-13(18-19)10-4-6-12(20-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyLNRHBLNUROTZFB-UHFFFAOYSA-N
XLogP3.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
CID 112694464
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582371
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877668
1-[4-ethyl-7-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]propan-1-one
CID 13011546
7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 11033489
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
CID 82271664

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 82269989) is 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2nc(-c3ccc(OC)cc3)cc2n1.
What is the InChIKey of 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LNRHBLNUROTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-3-11-8-14(16)19-15(17-11)9-13(18-19)10-4-6-12(20-2)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 287.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).