4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C13H22N4O2 — CID 79236647

IUPAC4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H22N4O2/c1-8-10(9(2)17(4)16-8)5-15-13(18)11-6-19-7-12(11)14-3/h11-12,14H,5-7H2,1-4H3,(H,15,18)
InChIKeyIJMCQLWBXKFDPB-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.11
Rot. Bonds4

About 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 79236647) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID79236647
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H22N4O2/c1-8-10(9(2)17(4)16-8)5-15-13(18)11-6-19-7-12(11)14-3/h11-12,14H,5-7H2,1-4H3,(H,15,18)
InChIKeyIJMCQLWBXKFDPB-UHFFFAOYSA-N
XLogP-0.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 79237456
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 106371630
4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222682
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838
(1S,2R,3S,4R)-3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51428115
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592059
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 102779685
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 79236647) is 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is IJMCQLWBXKFDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-10(9(2)17(4)16-8)5-15-13(18)11-6-19-7-12(11)14-3/h11-12,14H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 79236647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).