3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

C19H15ClN4 — CID 56921095

IUPAC3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3cccnc3)ccnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4/c1-2-16-18(13-5-3-7-15(20)11-13)19-22-10-8-17(24(19)23-16)14-6-4-9-21-12-14/h3-12H,2H2,1H3
InChIKeyAVFGLQHLYSNBJJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.67
Rot. Bonds3

About 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 56921095) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID56921095
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3cccnc3)ccnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4/c1-2-16-18(13-5-3-7-15(20)11-13)19-22-10-8-17(24(19)23-16)14-6-4-9-21-12-14/h3-12H,2H2,1H3
InChIKeyAVFGLQHLYSNBJJ-UHFFFAOYSA-N
XLogP4.67
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-ethyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 66498492
2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 12766254
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 56738010
3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 66498123
3-(3-chlorophenyl)sulfonyl-2-methylsulfanyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 58357842
5-(3-chlorophenyl)-4-ethyl-11-pyridin-4-yl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 30469374
3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
CID 66498472
3-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 11299190
7-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56920453
5-(3-chlorophenyl)-4-ethyl-11-(1,3-thiazol-2-yl)-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 30469377
11-(4-acetylphenyl)-5-(3-chlorophenyl)-4-ethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25252278
3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 66498417

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (CID 56921095) is 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is CCc1nn2c(-c3cccnc3)ccnc2c1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AVFGLQHLYSNBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-2-16-18(13-5-3-7-15(20)11-13)19-22-10-8-17(24(19)23-16)14-6-4-9-21-12-14/h3-12H,2H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 334.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56921095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).