N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C15H25N3O3 — CID 77087479

IUPACN-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)C1CCOC1
InChIInChI=1S/C15H25N3O3/c1-11-14(12(2)17(3)16-11)9-18(6-8-20-4)15(19)13-5-7-21-10-13/h13H,5-10H2,1-4H3
InChIKeyATORBVRBFFICNR-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.05
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 77087479) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID77087479
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)C1CCOC1
InChIInChI=1S/C15H25N3O3/c1-11-14(12(2)17(3)16-11)9-18(6-8-20-4)15(19)13-5-7-21-10-13/h13H,5-10H2,1-4H3
InChIKeyATORBVRBFFICNR-UHFFFAOYSA-N
XLogP1.05
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 77087479) is N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide is COCCN(Cc1c(C)nn(C)c1C)C(=O)C1CCOC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is ATORBVRBFFICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-14(12(2)17(3)16-11)9-18(6-8-20-4)15(19)13-5-7-21-10-13/h13H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 77087479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).