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

C11H19N3O2 — CID 114668938

IUPAC3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
SMILESCCCn1ncc(OC)c1C(=O)C(C)CN
InChIInChI=1S/C11H19N3O2/c1-4-5-14-10(9(16-3)7-13-14)11(15)8(2)6-12/h7-8H,4-6,12H2,1-3H3
InChIKeyBFEKEYZDUKKGNU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds6

About 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one

3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one (PubChem CID 114668938) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
PubChem CID114668938
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
SMILESCCCn1ncc(OC)c1C(=O)C(C)CN
InChIInChI=1S/C11H19N3O2/c1-4-5-14-10(9(16-3)7-13-14)11(15)8(2)6-12/h7-8H,4-6,12H2,1-3H3
InChIKeyBFEKEYZDUKKGNU-UHFFFAOYSA-N
XLogP1.08
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114642520
2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114670350
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one (CID 114668938) is 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one is CCCn1ncc(OC)c1C(=O)C(C)CN.
What is the InChIKey of 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is BFEKEYZDUKKGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-14-10(9(16-3)7-13-14)11(15)8(2)6-12/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one?
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 225.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114668938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).