4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one

C9H15N3O — CID 103133153

IUPAC4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
SMILESCC(N)CCC(=O)c1ccn(C)n1
InChIInChI=1S/C9H15N3O/c1-7(10)3-4-9(13)8-5-6-12(2)11-8/h5-7H,3-4,10H2,1-2H3
InChIKeyOQFAQPKNMUEUKA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.73
Rot. Bonds4

About 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one

4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one (PubChem CID 103133153) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
PubChem CID103133153
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
SMILESCC(N)CCC(=O)c1ccn(C)n1
InChIInChI=1S/C9H15N3O/c1-7(10)3-4-9(13)8-5-6-12(2)11-8/h5-7H,3-4,10H2,1-2H3
InChIKeyOQFAQPKNMUEUKA-UHFFFAOYSA-N
XLogP0.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133558
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
1-(1-methylpyrazol-3-yl)-4-methylsulfonylbutan-1-one
CID 65195803
3-(aminomethyl)-5-methyl-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133201
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
1-methylpyrazole-3-carboxamide
CID 13464586
tert-butyl 4-(1-methylpyrazol-3-yl)-4-oxobutanoate
CID 166705249
ethyl 4-(1-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 103119226
2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
CID 103130398
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692018
3-ethyl-1-(1-methylpyrazol-3-yl)heptan-1-one
CID 65195809

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one (CID 103133153) is 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one is CC(N)CCC(=O)c1ccn(C)n1.
What is the InChIKey of 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one?
The InChIKey is OQFAQPKNMUEUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(10)3-4-9(13)8-5-6-12(2)11-8/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one?
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 103133153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).