4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C20H21N3O2 — CID 135355380

IUPAC4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CC2)cn1
InChIInChI=1S/C20H21N3O2/c1-14(15-6-4-3-5-7-15)23-12-16(11-21-23)18-13-22(2)20(24)10-19(18)25-17-8-9-17/h3-7,10-14,17H,8-9H2,1-2H3
InChIKeyFMFQNDVKDMENKX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.40
Rot. Bonds5

About 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355380) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355380
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CC2)cn1
InChIInChI=1S/C20H21N3O2/c1-14(15-6-4-3-5-7-15)23-12-16(11-21-23)18-13-22(2)20(24)10-19(18)25-17-8-9-17/h3-7,10-14,17H,8-9H2,1-2H3
InChIKeyFMFQNDVKDMENKX-UHFFFAOYSA-N
XLogP3.40
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355380) is 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CC2)cn1.
What is the InChIKey of 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is FMFQNDVKDMENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(15-6-4-3-5-7-15)23-12-16(11-21-23)18-13-22(2)20(24)10-19(18)25-17-8-9-17/h3-7,10-14,17H,8-9H2,1-2H3.
What are the key properties of 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).