methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate

C11H13N3O3 — CID 2933217

IUPACmethyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate
SMILESCOC(=O)N1N=C(C)CC1(O)c1cccnc1
InChIInChI=1S/C11H13N3O3/c1-8-6-11(16,9-4-3-5-12-7-9)14(13-8)10(15)17-2/h3-5,7,16H,6H2,1-2H3
InChIKeyHOLZKRYIPNMDOI-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.07
Rot. Bonds1

About methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate

methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate (PubChem CID 2933217) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate
PubChem CID2933217
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate
SMILESCOC(=O)N1N=C(C)CC1(O)c1cccnc1
InChIInChI=1S/C11H13N3O3/c1-8-6-11(16,9-4-3-5-12-7-9)14(13-8)10(15)17-2/h3-5,7,16H,6H2,1-2H3
InChIKeyHOLZKRYIPNMDOI-UHFFFAOYSA-N
XLogP1.07
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 571594
furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3148321
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
2-(3,4-dimethoxyphenyl)-1-[(5S)-5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl]ethanone
CID 1253171
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 768635
[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 40523005
1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713990
tert-butyl 5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazole-1-carboxylate
CID 3131606
[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 11836338
[(5R)-5-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
CID 692515
(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3141319

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate?
The IUPAC name of methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate (CID 2933217) is methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate?
The canonical SMILES for methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate is COC(=O)N1N=C(C)CC1(O)c1cccnc1.
What is the InChIKey of methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate?
The InChIKey is HOLZKRYIPNMDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-8-6-11(16,9-4-3-5-12-7-9)14(13-8)10(15)17-2/h3-5,7,16H,6H2,1-2H3.
What are the key properties of methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate?
methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate is sourced from PubChem (CID 2933217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).