4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide

C12H14N4O3 — CID 103079086

IUPAC4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1nn(C)cc1N
InChIInChI=1S/C12H14N4O3/c1-16-6-8(13)12(15-16)19-9-4-3-7(11(14)17)5-10(9)18-2/h3-6H,13H2,1-2H3,(H2,14,17)
InChIKeyVVVOAVVQZBACOV-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.90
Rot. Bonds4

About 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide

4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide (PubChem CID 103079086) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide.

Molecular Properties

Compound Name4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
PubChem CID103079086
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1nn(C)cc1N
InChIInChI=1S/C12H14N4O3/c1-16-6-8(13)12(15-16)19-9-4-3-7(11(14)17)5-10(9)18-2/h3-6H,13H2,1-2H3,(H2,14,17)
InChIKeyVVVOAVVQZBACOV-UHFFFAOYSA-N
XLogP0.90
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-amino-6-methoxy-2-pyridinyl)oxy]-3-methoxybenzamide
CID 43262362
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
CID 61015827
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
4-butoxy-3-methoxybenzamide
CID 47102628
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide?
The IUPAC name of 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide (CID 103079086) is 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide.
What is the SMILES notation for 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide?
The canonical SMILES for 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide is COc1cc(C(N)=O)ccc1Oc1nn(C)cc1N.
What is the InChIKey of 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide?
The InChIKey is VVVOAVVQZBACOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16-6-8(13)12(15-16)19-9-4-3-7(11(14)17)5-10(9)18-2/h3-6H,13H2,1-2H3,(H2,14,17).
What are the key properties of 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide?
4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide has a molecular weight of 262.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide is sourced from PubChem (CID 103079086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).