2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one

C21H17N5O — CID 118724610

IUPAC2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCn1cc(-c2ccc(Cn3[nH]c4c(cnc5ccccc54)c3=O)cc2)cn1
InChIInChI=1S/C21H17N5O/c1-25-13-16(10-23-25)15-8-6-14(7-9-15)12-26-21(27)18-11-22-19-5-3-2-4-17(19)20(18)24-26/h2-11,13,24H,12H2,1H3
InChIKeyGJPZDGUKLRHLMO-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.33
Rot. Bonds3

About 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one

2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 118724610) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID118724610
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCn1cc(-c2ccc(Cn3[nH]c4c(cnc5ccccc54)c3=O)cc2)cn1
InChIInChI=1S/C21H17N5O/c1-25-13-16(10-23-25)15-8-6-14(7-9-15)12-26-21(27)18-11-22-19-5-3-2-4-17(19)20(18)24-26/h2-11,13,24H,12H2,1H3
InChIKeyGJPZDGUKLRHLMO-UHFFFAOYSA-N
XLogP3.33
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 118724610) is 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one is Cn1cc(-c2ccc(Cn3[nH]c4c(cnc5ccccc54)c3=O)cc2)cn1.
What is the InChIKey of 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is GJPZDGUKLRHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-25-13-16(10-23-25)15-8-6-14(7-9-15)12-26-21(27)18-11-22-19-5-3-2-4-17(19)20(18)24-26/h2-11,13,24H,12H2,1H3.
What are the key properties of 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 355.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 118724610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).