N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide

C14H23N3O2 — CID 97218795

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
SMILESCCn1cc(CNC(=O)CC[C@H]2CC[C@@H](C)O2)cn1
InChIInChI=1S/C14H23N3O2/c1-3-17-10-12(9-16-17)8-15-14(18)7-6-13-5-4-11(2)19-13/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t11-,13-/m1/s1
InChIKeyKRUKTUJFQNKOMS-DGCLKSJQSA-N
MW265.36 g/mol
LogP1.87
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide (PubChem CID 97218795) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
PubChem CID97218795
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
SMILESCCn1cc(CNC(=O)CC[C@H]2CC[C@@H](C)O2)cn1
InChIInChI=1S/C14H23N3O2/c1-3-17-10-12(9-16-17)8-15-14(18)7-6-13-5-4-11(2)19-13/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t11-,13-/m1/s1
InChIKeyKRUKTUJFQNKOMS-DGCLKSJQSA-N
XLogP1.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide (CID 97218795) is N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide is CCn1cc(CNC(=O)CC[C@H]2CC[C@@H](C)O2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide?
The InChIKey is KRUKTUJFQNKOMS-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-10-12(9-16-17)8-15-14(18)7-6-13-5-4-11(2)19-13/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t11-,13-/m1/s1.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide is sourced from PubChem (CID 97218795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).