2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

C14H23N3O2 — CID 131925877

IUPAC2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)CC2CCOC2)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)16-17(12(10)3)6-5-15-14(18)8-13-4-7-19-9-13/h13H,4-9H2,1-3H3,(H,15,18)
InChIKeyDKFRYVXVCQNKSI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.35
Rot. Bonds5

About 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (PubChem CID 131925877) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
PubChem CID131925877
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)CC2CCOC2)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)16-17(12(10)3)6-5-15-14(18)8-13-4-7-19-9-13/h13H,4-9H2,1-3H3,(H,15,18)
InChIKeyDKFRYVXVCQNKSI-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxolan-3-yl)acetamide
CID 119071118
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 135112641
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 131900926
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
N-(3,3-diphenylpropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126442635
4-iodo-3,5-dimethyl-1-[2-(oxolan-3-yl)ethyl]pyrazole
CID 130794519
2-(oxolan-3-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 131928613

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (CID 131925877) is 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is Cc1nn(CCNC(=O)CC2CCOC2)c(C)c1C.
What is the InChIKey of 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is DKFRYVXVCQNKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-11(2)16-17(12(10)3)6-5-15-14(18)8-13-4-7-19-9-13/h13H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 131925877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).