2-(butylamino)-1-pyrazol-1-ylpropan-1-one

C10H17N3O — CID 141299758

IUPAC2-(butylamino)-1-pyrazol-1-ylpropan-1-one
SMILESCCCCNC(C)C(=O)n1cccn1
InChIInChI=1S/C10H17N3O/c1-3-4-6-11-9(2)10(14)13-8-5-7-12-13/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyOJGBPAZIRDCHKP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.30
Rot. Bonds5

About 2-(butylamino)-1-pyrazol-1-ylpropan-1-one

2-(butylamino)-1-pyrazol-1-ylpropan-1-one (PubChem CID 141299758) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(butylamino)-1-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(butylamino)-1-pyrazol-1-ylpropan-1-one
PubChem CID141299758
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(butylamino)-1-pyrazol-1-ylpropan-1-one
SMILESCCCCNC(C)C(=O)n1cccn1
InChIInChI=1S/C10H17N3O/c1-3-4-6-11-9(2)10(14)13-8-5-7-12-13/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyOJGBPAZIRDCHKP-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentylpyrazole-1-carboxamide
CID 134846837
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
2-anilino-1-pyrazol-1-ylpropan-1-one
CID 141299756
2-amino-1-pyrazol-1-ylpropan-1-one
CID 76503480
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
CID 141081196
N-methylpyrazole-1-carboxamide;propane
CID 90891150
2-(pentylamino)propanoic acid
CID 43467235
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
sodium;hydride;methane;2-(pentylamino)propanoic acid
CID 174916781
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-pyrazol-1-ylpropan-1-one?
The IUPAC name of 2-(butylamino)-1-pyrazol-1-ylpropan-1-one (CID 141299758) is 2-(butylamino)-1-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 2-(butylamino)-1-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 2-(butylamino)-1-pyrazol-1-ylpropan-1-one is CCCCNC(C)C(=O)n1cccn1.
What is the InChIKey of 2-(butylamino)-1-pyrazol-1-ylpropan-1-one?
The InChIKey is OJGBPAZIRDCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-6-11-9(2)10(14)13-8-5-7-12-13/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(butylamino)-1-pyrazol-1-ylpropan-1-one?
2-(butylamino)-1-pyrazol-1-ylpropan-1-one has a molecular weight of 195.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 141299758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).