3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C11H18N4O3 — CID 113450755

IUPAC3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOC1(CNC(=O)c2c(N)n[nH]c2C)CCOC1
InChIInChI=1S/C11H18N4O3/c1-7-8(9(12)15-14-7)10(16)13-5-11(17-2)3-4-18-6-11/h3-6H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyPXKJESJKBRRPJL-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds4

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

3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 113450755) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID113450755
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOC1(CNC(=O)c2c(N)n[nH]c2C)CCOC1
InChIInChI=1S/C11H18N4O3/c1-7-8(9(12)15-14-7)10(16)13-5-11(17-2)3-4-18-6-11/h3-6H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyPXKJESJKBRRPJL-UHFFFAOYSA-N
XLogP-0.16
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 104758350
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
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
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116673299
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 113450755) is 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is COC1(CNC(=O)c2c(N)n[nH]c2C)CCOC1.
What is the InChIKey of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is PXKJESJKBRRPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-8(9(12)15-14-7)10(16)13-5-11(17-2)3-4-18-6-11/h3-6H2,1-2H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113450755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).