2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one

C17H17N3O2 — CID 54086661

IUPAC2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESCCCOc1ccc(-n2[nH]c(-c3cccnc3)cc2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-2-10-22-15-7-5-14(6-8-15)20-17(21)11-16(19-20)13-4-3-9-18-12-13/h3-9,11-12,19H,2,10H2,1H3
InChIKeyMQYZBCKWTWSYKZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one

2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 54086661) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID54086661
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESCCCOc1ccc(-n2[nH]c(-c3cccnc3)cc2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-2-10-22-15-7-5-14(6-8-15)20-17(21)11-16(19-20)13-4-3-9-18-12-13/h3-9,11-12,19H,2,10H2,1H3
InChIKeyMQYZBCKWTWSYKZ-UHFFFAOYSA-N
XLogP3.02
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one (CID 54086661) is 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one is CCCOc1ccc(-n2[nH]c(-c3cccnc3)cc2=O)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is MQYZBCKWTWSYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-10-22-15-7-5-14(6-8-15)20-17(21)11-16(19-20)13-4-3-9-18-12-13/h3-9,11-12,19H,2,10H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one?
2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 295.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 54086661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).