5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one

C19H18F3N3O2 — CID 135355386

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(OCCC(F)(F)F)cc1=O
InChIInChI=1S/C19H18F3N3O2/c1-24-13-16(17(9-18(24)26)27-8-7-19(20,21)22)15-10-23-25(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3
InChIKeyCMMUUSFMDAEUMA-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.63
Rot. Bonds6

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one (PubChem CID 135355386) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one
PubChem CID135355386
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(OCCC(F)(F)F)cc1=O
InChIInChI=1S/C19H18F3N3O2/c1-24-13-16(17(9-18(24)26)27-8-7-19(20,21)22)15-10-23-25(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3
InChIKeyCMMUUSFMDAEUMA-UHFFFAOYSA-N
XLogP3.63
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
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-(3,3,3-trifluoropropoxy)pyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one (CID 135355386) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(OCCC(F)(F)F)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one?
The InChIKey is CMMUUSFMDAEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24-13-16(17(9-18(24)26)27-8-7-19(20,21)22)15-10-23-25(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(3,3,3-trifluoropropoxy)pyridin-2-one has a molecular weight of 377.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 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-(3,3,3-trifluoropropoxy)pyridin-2-one is sourced from PubChem (CID 135355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).