4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one

C22H23N5O2 — CID 135355042

IUPAC4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(-c3cnn(C)c3)cc2)c1
InChIInChI=1S/C22H23N5O2/c1-4-29-21-9-22(28)25(2)15-20(21)19-11-24-27(14-19)12-16-5-7-17(8-6-16)18-10-23-26(3)13-18/h5-11,13-15H,4,12H2,1-3H3
InChIKeyAHRNUSRCZJSRKE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.10
Rot. Bonds6

About 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one

4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355042) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355042
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(-c3cnn(C)c3)cc2)c1
InChIInChI=1S/C22H23N5O2/c1-4-29-21-9-22(28)25(2)15-20(21)19-11-24-27(14-19)12-16-5-7-17(8-6-16)18-10-23-26(3)13-18/h5-11,13-15H,4,12H2,1-3H3
InChIKeyAHRNUSRCZJSRKE-UHFFFAOYSA-N
XLogP3.10
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one (CID 135355042) is 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(Cc2ccc(-c3cnn(C)c3)cc2)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is AHRNUSRCZJSRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-29-21-9-22(28)25(2)15-20(21)19-11-24-27(14-19)12-16-5-7-17(8-6-16)18-10-23-26(3)13-18/h5-11,13-15H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-5-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).