1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone

C14H17N3O2 — CID 116540975

IUPAC1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
SMILESCCn1cc(COc2ccc(N)cc2C(C)=O)cn1
InChIInChI=1S/C14H17N3O2/c1-3-17-8-11(7-16-17)9-19-14-5-4-12(15)6-13(14)10(2)18/h4-8H,3,9,15H2,1-2H3
InChIKeyAWBMGUHKTALOOR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.27
Rot. Bonds5

About 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone

1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 116540975) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
PubChem CID116540975
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
SMILESCCn1cc(COc2ccc(N)cc2C(C)=O)cn1
InChIInChI=1S/C14H17N3O2/c1-3-17-8-11(7-16-17)9-19-14-5-4-12(15)6-13(14)10(2)18/h4-8H,3,9,15H2,1-2H3
InChIKeyAWBMGUHKTALOOR-UHFFFAOYSA-N
XLogP2.27
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1-ethylpyrazol-4-yl)methyl 5-amino-2-chlorobenzoate
CID 62127530
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
(1-ethylpyrazol-4-yl)methyl 4-amino-2-fluorobenzoate
CID 62127871
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
CID 81315729
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
(1-ethylpyrazol-4-yl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199246
4-[(1-ethylpyrazol-4-yl)methoxy]-2,5-difluoroaniline
CID 63600050
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone (CID 116540975) is 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone is CCn1cc(COc2ccc(N)cc2C(C)=O)cn1.
What is the InChIKey of 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is AWBMGUHKTALOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-17-8-11(7-16-17)9-19-14-5-4-12(15)6-13(14)10(2)18/h4-8H,3,9,15H2,1-2H3.
What are the key properties of 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone?
1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 116540975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).