2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one

C11H19N3O2 — CID 116567267

IUPAC2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(N)CCOC
InChIInChI=1S/C11H19N3O2/c1-3-7-14-10(4-6-13-14)11(15)9(12)5-8-16-2/h4,6,9H,3,5,7-8,12H2,1-2H3
InChIKeyWRCGQNQUUOXRMW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds7

About 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one

2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one (PubChem CID 116567267) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
PubChem CID116567267
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(N)CCOC
InChIInChI=1S/C11H19N3O2/c1-3-7-14-10(4-6-13-14)11(15)9(12)5-8-16-2/h4,6,9H,3,5,7-8,12H2,1-2H3
InChIKeyWRCGQNQUUOXRMW-UHFFFAOYSA-N
XLogP0.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
CID 116554556
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one
CID 114278097
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylhexan-1-one
CID 114278096
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114669074
3-methyl-4-oxo-4-(2-propylpyrazol-3-yl)butanenitrile
CID 114556724
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one (CID 116567267) is 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one is CCCn1nccc1C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The InChIKey is WRCGQNQUUOXRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-7-14-10(4-6-13-14)11(15)9(12)5-8-16-2/h4,6,9H,3,5,7-8,12H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one?
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one has a molecular weight of 225.29 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 116567267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).