[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

C17H17N3O2 — CID 22605742

IUPAC[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1C1=NN(C(=O)c2cccnc2)CC1C
InChIInChI=1S/C17H17N3O2/c1-12-11-20(17(21)13-6-5-9-18-10-13)19-16(12)14-7-3-4-8-15(14)22-2/h3-10,12H,11H2,1-2H3
InChIKeyPDSIHHLAIABRRD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.59
Rot. Bonds3

About [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 22605742) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID22605742
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1C1=NN(C(=O)c2cccnc2)CC1C
InChIInChI=1S/C17H17N3O2/c1-12-11-20(17(21)13-6-5-9-18-10-13)19-16(12)14-7-3-4-8-15(14)22-2/h3-10,12H,11H2,1-2H3
InChIKeyPDSIHHLAIABRRD-UHFFFAOYSA-N
XLogP2.59
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]propan-1-imine
CID 158946335
3-(2-methoxyphenyl)pyridine
CID 4133297
5-(2-methoxyphenyl)-4-methyl-N'-(oxan-2-yloxy)-3,4-dihydropyrazole-2-carboximidamide
CID 154508668
[(8R,9R,10S)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-pyridin-3-ylmethanone
CID 54666578
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964
(3S,4R)-4-(2,3-dimethoxyphenyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 70784693
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
1-(2-methoxyphenyl)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 118111735

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 22605742) is [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is COc1ccccc1C1=NN(C(=O)c2cccnc2)CC1C.
What is the InChIKey of [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is PDSIHHLAIABRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-11-20(17(21)13-6-5-9-18-10-13)19-16(12)14-7-3-4-8-15(14)22-2/h3-10,12H,11H2,1-2H3.
What are the key properties of [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 295.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 22605742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).