2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one

C13H23N3O3 — CID 114670350

IUPAC2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCn1ncc(OC)c1C(=O)C(N)CCCOC
InChIInChI=1S/C13H23N3O3/c1-4-7-16-12(11(19-3)9-15-16)13(17)10(14)6-5-8-18-2/h9-10H,4-8,14H2,1-3H3
InChIKeyQVLWDUSQUBEPGC-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.24
Rot. Bonds9

About 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one

2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one (PubChem CID 114670350) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
PubChem CID114670350
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCn1ncc(OC)c1C(=O)C(N)CCCOC
InChIInChI=1S/C13H23N3O3/c1-4-7-16-12(11(19-3)9-15-16)13(17)10(14)6-5-8-18-2/h9-10H,4-8,14H2,1-3H3
InChIKeyQVLWDUSQUBEPGC-UHFFFAOYSA-N
XLogP1.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114642520
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114668433
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methylpentan-1-one
CID 114668362
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116593833
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114669074

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one (CID 114670350) is 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one is CCCn1ncc(OC)c1C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The InChIKey is QVLWDUSQUBEPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-7-16-12(11(19-3)9-15-16)13(17)10(14)6-5-8-18-2/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one has a molecular weight of 269.34 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one is sourced from PubChem (CID 114670350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).