1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

C9H15N3O — CID 116548395

IUPAC1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)CN)n1
InChIInChI=1S/C9H15N3O/c1-7(2)12-4-3-8(11-12)5-9(13)6-10/h3-4,7H,5-6,10H2,1-2H3
InChIKeyRPKLPEYRKBPIIP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.53
Rot. Bonds4

About 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (PubChem CID 116548395) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
PubChem CID116548395
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)CN)n1
InChIInChI=1S/C9H15N3O/c1-7(2)12-4-3-8(11-12)5-9(13)6-10/h3-4,7H,5-6,10H2,1-2H3
InChIKeyRPKLPEYRKBPIIP-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
CID 116610103
4-amino-3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 116600015
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
1-[1-(aminomethyl)cyclohexyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116614352
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64773333
1-(4-aminophenyl)-3-(1-butan-2-ylpyrazol-3-yl)propan-2-one
CID 116549421
3-ethyl-3-hydroxy-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-one
CID 103447034
1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116598430
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116585161

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (CID 116548395) is 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is CC(C)n1ccc(CC(=O)CN)n1.
What is the InChIKey of 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The InChIKey is RPKLPEYRKBPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12-4-3-8(11-12)5-9(13)6-10/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 116548395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).