(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone

C16H15N3O2 — CID 2845042

IUPAC(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
SMILESCC1=NN(C(=O)c2cccnc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2/c1-12-10-16(21,14-7-3-2-4-8-14)19(18-12)15(20)13-6-5-9-17-11-13/h2-9,11,21H,10H2,1H3
InChIKeyGYPVOXTWDIQUOW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.15
Rot. Bonds2

About (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone

(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone (PubChem CID 2845042) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
PubChem CID2845042
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
SMILESCC1=NN(C(=O)c2cccnc2)C(O)(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2/c1-12-10-16(21,14-7-3-2-4-8-14)19(18-12)15(20)13-6-5-9-17-11-13/h2-9,11,21H,10H2,1H3
InChIKeyGYPVOXTWDIQUOW-UHFFFAOYSA-N
XLogP2.15
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone (CID 2845042) is (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone is CC1=NN(C(=O)c2cccnc2)C(O)(c2ccccc2)C1.
What is the InChIKey of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
The InChIKey is GYPVOXTWDIQUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-10-16(21,14-7-3-2-4-8-14)19(18-12)15(20)13-6-5-9-17-11-13/h2-9,11,21H,10H2,1H3.
What are the key properties of (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone has a molecular weight of 281.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 2845042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).