1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C19H21N3O — CID 135355260

IUPAC1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCc1c(-c2cnn(C(C)c3ccccc3)c2)cn(C)c(=O)c1C
InChIInChI=1S/C19H21N3O/c1-13-14(2)19(23)21(4)12-18(13)17-10-20-22(11-17)15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3
InChIKeyCJBIOEKIFDRINV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.47
Rot. Bonds3

About 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355260) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355260
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCc1c(-c2cnn(C(C)c3ccccc3)c2)cn(C)c(=O)c1C
InChIInChI=1S/C19H21N3O/c1-13-14(2)19(23)21(4)12-18(13)17-10-20-22(11-17)15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3
InChIKeyCJBIOEKIFDRINV-UHFFFAOYSA-N
XLogP3.47
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355260) is 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is Cc1c(-c2cnn(C(C)c3ccccc3)c2)cn(C)c(=O)c1C.
What is the InChIKey of 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is CJBIOEKIFDRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-14(2)19(23)21(4)12-18(13)17-10-20-22(11-17)15(3)16-8-6-5-7-9-16/h5-12,15H,1-4H3.
What are the key properties of 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).