(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone

C16H15N3O — CID 14749447

IUPAC(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
SMILESCC1C=NN(C(=O)c2cccnc2)C1c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-10-18-19(15(12)13-6-3-2-4-7-13)16(20)14-8-5-9-17-11-14/h2-12,15H,1H3
InChIKeyKBGZJPODQAAUDZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.90
Rot. Bonds2

About (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone

(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone (PubChem CID 14749447) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
PubChem CID14749447
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
SMILESCC1C=NN(C(=O)c2cccnc2)C1c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-10-18-19(15(12)13-6-3-2-4-7-13)16(20)14-8-5-9-17-11-14/h2-12,15H,1H3
InChIKeyKBGZJPODQAAUDZ-UHFFFAOYSA-N
XLogP2.90
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 10313453
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 7590767
[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 4550586
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
CID 110711424
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
CID 157283677
CID 157283677

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone (CID 14749447) is (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone is CC1C=NN(C(=O)c2cccnc2)C1c1ccccc1.
What is the InChIKey of (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
The InChIKey is KBGZJPODQAAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-10-18-19(15(12)13-6-3-2-4-7-13)16(20)14-8-5-9-17-11-14/h2-12,15H,1H3.
What are the key properties of (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone?
(4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone has a molecular weight of 265.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 14749447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).