methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate

C16H18N4O4 — CID 154998706

IUPACmethyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C16H18N4O4/c1-23-16(22)14-12(18-15(21)11-5-4-7-17-9-11)10-20(19-14)13-6-2-3-8-24-13/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,18,21)
InChIKeyHUIMGIJVKOUFIU-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.02
Rot. Bonds4

About methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate

methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate (PubChem CID 154998706) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate
PubChem CID154998706
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C16H18N4O4/c1-23-16(22)14-12(18-15(21)11-5-4-7-17-9-11)10-20(19-14)13-6-2-3-8-24-13/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,18,21)
InChIKeyHUIMGIJVKOUFIU-UHFFFAOYSA-N
XLogP2.02
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
CID 122445380
N-(2-cyanoethyl)-4-[(4-methoxybenzoyl)amino]-1-(oxan-2-yl)pyrazole-3-carboxamide
CID 68988425
N-[1-(oxan-2-yl)-3-(2-pyridin-2-ylsulfanylethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 68986941
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-(2-cyanoethyl)-1-(oxan-2-yl)-4-[[4-(trifluoromethyl)benzoyl]amino]pyrazole-3-carboxamide
CID 68985132
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-cyclopentylsulfanylphenyl)pyridine-3-carboxamide
CID 31915721
1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
CID 45181533

Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate (CID 154998706) is methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate is COC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cccnc1.
What is the InChIKey of methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate?
The InChIKey is HUIMGIJVKOUFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-16(22)14-12(18-15(21)11-5-4-7-17-9-11)10-20(19-14)13-6-2-3-8-24-13/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,18,21).
What are the key properties of methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate?
methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate is sourced from PubChem (CID 154998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).