5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one

C19H17N5O — CID 135355126

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccn[nH]2)cc1=O
InChIInChI=1S/C19H17N5O/c1-23-13-17(16(9-19(23)25)18-7-8-20-22-18)15-10-21-24(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyFYTOJLRGDKXUCM-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.69
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one (PubChem CID 135355126) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one
PubChem CID135355126
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccn[nH]2)cc1=O
InChIInChI=1S/C19H17N5O/c1-23-13-17(16(9-19(23)25)18-7-8-20-22-18)15-10-21-24(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyFYTOJLRGDKXUCM-UHFFFAOYSA-N
XLogP2.69
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one (CID 135355126) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2ccn[nH]2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one?
The InChIKey is FYTOJLRGDKXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-23-13-17(16(9-19(23)25)18-7-8-20-22-18)15-10-21-24(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,20,22).
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one has a molecular weight of 331.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1H-pyrazol-5-yl)pyridin-2-one is sourced from PubChem (CID 135355126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).