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

C15H14N4O2 — CID 571594

IUPAC(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
SMILESCC1=NN(C(=O)c2cccnc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C15H14N4O2/c1-11-8-15(21,13-5-3-7-17-10-13)19(18-11)14(20)12-4-2-6-16-9-12/h2-7,9-10,21H,8H2,1H3
InChIKeyCXWXCBVEGCEYCT-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.54
Rot. Bonds2

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

(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone (PubChem CID 571594) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
PubChem CID571594
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
SMILESCC1=NN(C(=O)c2cccnc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C15H14N4O2/c1-11-8-15(21,13-5-3-7-17-10-13)19(18-11)14(20)12-4-2-6-16-9-12/h2-7,9-10,21H,8H2,1H3
InChIKeyCXWXCBVEGCEYCT-UHFFFAOYSA-N
XLogP1.54
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate
CID 2933217
[(5R)-5-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
CID 692515
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3148321
[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 768635
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3141319
2-(3,4-dimethoxyphenyl)-1-[(5S)-5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl]ethanone
CID 1253171
[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 11836338
[5-(4-ethylphenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 23962510

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone (CID 571594) is (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone is CC1=NN(C(=O)c2cccnc2)C(O)(c2cccnc2)C1.
What is the InChIKey of (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
The InChIKey is CXWXCBVEGCEYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-8-15(21,13-5-3-7-17-10-13)19(18-11)14(20)12-4-2-6-16-9-12/h2-7,9-10,21H,8H2,1H3.
What are the key properties of (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone?
(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone has a molecular weight of 282.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 571594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).