N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide

C20H16ClN5O2 — CID 16811186

IUPACN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H16ClN5O2/c21-15-7-4-8-16(11-15)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,24,27)
InChIKeyGFWXXFXNVQCPLJ-UHFFFAOYSA-N
MW393.83 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide

N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide (PubChem CID 16811186) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide
PubChem CID16811186
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C20H16ClN5O2/c21-15-7-4-8-16(11-15)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,24,27)
InChIKeyGFWXXFXNVQCPLJ-UHFFFAOYSA-N
XLogP2.94
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide (CID 16811186) is N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide?
The InChIKey is GFWXXFXNVQCPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c21-15-7-4-8-16(11-15)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,24,27).
What are the key properties of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide?
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide has a molecular weight of 393.83 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 16811186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).