3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide

C15H20N4O2 — CID 115988957

IUPAC3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)cc1CNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H20N4O2/c1-11-12(10-19(2)18-11)9-17-15(20)6-7-21-14-5-3-4-13(16)8-14/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,20)
InChIKeyGGKKFHZQEGRKAB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.40
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide

3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 115988957) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
PubChem CID115988957
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)cc1CNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H20N4O2/c1-11-12(10-19(2)18-11)9-17-15(20)6-7-21-14-5-3-4-13(16)8-14/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,20)
InChIKeyGGKKFHZQEGRKAB-UHFFFAOYSA-N
XLogP1.40
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
CID 61401540
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 61464165
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide (CID 115988957) is 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)cc1CNC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is GGKKFHZQEGRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-12(10-19(2)18-11)9-17-15(20)6-7-21-14-5-3-4-13(16)8-14/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,20).
What are the key properties of 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide?
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 115988957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).