4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one

C9H15N3O — CID 116555966

IUPAC4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1cnn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(10)3-9(13)4-8-5-11-12(2)6-8/h5-7H,3-4,10H2,1-2H3
InChIKeyFFPSJVXADBNZLP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.27
Rot. Bonds4

About 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one

4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one (PubChem CID 116555966) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
PubChem CID116555966
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1cnn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(10)3-9(13)4-8-5-11-12(2)6-8/h5-7H,3-4,10H2,1-2H3
InChIKeyFFPSJVXADBNZLP-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116614716
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
3-amino-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119902964
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
5-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-one
CID 103024107
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939
5-(2-aminoethyl)-1-(1-methylpyrazol-4-yl)octan-2-one
CID 116582922

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one?
The IUPAC name of 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one (CID 116555966) is 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one?
The canonical SMILES for 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one is CC(N)CC(=O)Cc1cnn(C)c1.
What is the InChIKey of 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one?
The InChIKey is FFPSJVXADBNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(10)3-9(13)4-8-5-11-12(2)6-8/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one?
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.27, 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-4-yl)pentan-2-one is sourced from PubChem (CID 116555966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).