3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C11H18N4O2 — CID 64893781

IUPAC3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H18N4O2/c1-14(6-9-5-13-15(2)7-9)10(16)11(12)3-4-17-8-11/h5,7H,3-4,6,8,12H2,1-2H3
InChIKeyPSQARLYRZBKRJJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.50
Rot. Bonds3

About 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide

3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 64893781) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID64893781
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H18N4O2/c1-14(6-9-5-13-15(2)7-9)10(16)11(12)3-4-17-8-11/h5,7H,3-4,6,8,12H2,1-2H3
InChIKeyPSQARLYRZBKRJJ-UHFFFAOYSA-N
XLogP-0.50
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64891744

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 64893781) is 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is PSQARLYRZBKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(6-9-5-13-15(2)7-9)10(16)11(12)3-4-17-8-11/h5,7H,3-4,6,8,12H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64893781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).