4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C12H20N4O3 — CID 104758350

IUPAC4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCOC1(CNC(=O)c2c(N)c(C)nn2C)CCOC1
InChIInChI=1S/C12H20N4O3/c1-8-9(13)10(16(2)15-8)11(17)14-6-12(18-3)4-5-19-7-12/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyWGFIDYIUYOWGQI-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.15
Rot. Bonds4

About 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 104758350) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID104758350
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCOC1(CNC(=O)c2c(N)c(C)nn2C)CCOC1
InChIInChI=1S/C12H20N4O3/c1-8-9(13)10(16(2)15-8)11(17)14-6-12(18-3)4-5-19-7-12/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyWGFIDYIUYOWGQI-UHFFFAOYSA-N
XLogP-0.15
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123246
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113450755
4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 114107091
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine
CID 104759023
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 104758350) is 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide is COC1(CNC(=O)c2c(N)c(C)nn2C)CCOC1.
What is the InChIKey of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is WGFIDYIUYOWGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-9(13)10(16(2)15-8)11(17)14-6-12(18-3)4-5-19-7-12/h4-7,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 104758350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).