3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C19H15ClN4 — CID 56738010

IUPAC3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4/c1-2-16-18(14-3-5-15(20)6-4-14)19-22-12-9-17(24(19)23-16)13-7-10-21-11-8-13/h3-12H,2H2,1H3
InChIKeyQLFOAYKRLROVET-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.67
Rot. Bonds3

About 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 56738010) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID56738010
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC Name3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4/c1-2-16-18(14-3-5-15(20)6-4-14)19-22-12-9-17(24(19)23-16)13-7-10-21-11-8-13/h3-12H,2H2,1H3
InChIKeyQLFOAYKRLROVET-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 56738010) is 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CCc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QLFOAYKRLROVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-2-16-18(14-3-5-15(20)6-4-14)19-22-12-9-17(24(19)23-16)13-7-10-21-11-8-13/h3-12H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-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-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56738010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).