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

C11H18N4O3 — CID 104758335

IUPAC4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCOC1(CNC(=O)c2c(N)cnn2C)CCOC1
InChIInChI=1S/C11H18N4O3/c1-15-9(8(12)5-14-15)10(16)13-6-11(17-2)3-4-18-7-11/h5H,3-4,6-7,12H2,1-2H3,(H,13,16)
InChIKeyOLBURFHQWZLFFF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.46
Rot. Bonds4

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

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 104758335) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID104758335
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCOC1(CNC(=O)c2c(N)cnn2C)CCOC1
InChIInChI=1S/C11H18N4O3/c1-15-9(8(12)5-14-15)10(16)13-6-11(17-2)3-4-18-7-11/h5H,3-4,6-7,12H2,1-2H3,(H,13,16)
InChIKeyOLBURFHQWZLFFF-UHFFFAOYSA-N
XLogP-0.46
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 104758350
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104758395
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
4-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazole-5-carboxamide
CID 105413288
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide (CID 104758335) is 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide is COC1(CNC(=O)c2c(N)cnn2C)CCOC1.
What is the InChIKey of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OLBURFHQWZLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15-9(8(12)5-14-15)10(16)13-6-11(17-2)3-4-18-7-11/h5H,3-4,6-7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.46, 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 104758335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).