5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one

C13H23N3O2 — CID 114671003

IUPAC5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
SMILESCOc1cnn(C(C)C)c1C(=O)CCC(C)CN
InChIInChI=1S/C13H23N3O2/c1-9(2)16-13(12(18-4)8-15-16)11(17)6-5-10(3)7-14/h8-10H,5-7,14H2,1-4H3
InChIKeyKYJSOOCNIAGOGK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.03
Rot. Bonds7

About 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one

5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one (PubChem CID 114671003) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
PubChem CID114671003
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
SMILESCOc1cnn(C(C)C)c1C(=O)CCC(C)CN
InChIInChI=1S/C13H23N3O2/c1-9(2)16-13(12(18-4)8-15-16)11(17)6-5-10(3)7-14/h8-10H,5-7,14H2,1-4H3
InChIKeyKYJSOOCNIAGOGK-UHFFFAOYSA-N
XLogP2.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638776
3-(3-aminophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114670810
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639086
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639636
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828
2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114642687
2-(diethylamino)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641077
2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)but-2-en-1-one
CID 103447455

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one (CID 114671003) is 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one is COc1cnn(C(C)C)c1C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one?
The InChIKey is KYJSOOCNIAGOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)16-13(12(18-4)8-15-16)11(17)6-5-10(3)7-14/h8-10H,5-7,14H2,1-4H3.
What are the key properties of 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one?
5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one has a molecular weight of 253.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one is sourced from PubChem (CID 114671003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).