2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide

C11H18N4O — CID 115761179

IUPAC2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(CNC1CC1)NCCCn1cccn1
InChIInChI=1S/C11H18N4O/c16-11(9-13-10-3-4-10)12-5-1-7-15-8-2-6-14-15/h2,6,8,10,13H,1,3-5,7,9H2,(H,12,16)
InChIKeyDNNYELIBUNFNFY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds7

About 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide

2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 115761179) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID115761179
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(CNC1CC1)NCCCn1cccn1
InChIInChI=1S/C11H18N4O/c16-11(9-13-10-3-4-10)12-5-1-7-15-8-2-6-14-15/h2,6,8,10,13H,1,3-5,7,9H2,(H,12,16)
InChIKeyDNNYELIBUNFNFY-UHFFFAOYSA-N
XLogP0.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 111432305
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide (CID 115761179) is 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide is O=C(CNC1CC1)NCCCn1cccn1.
What is the InChIKey of 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is DNNYELIBUNFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(9-13-10-3-4-10)12-5-1-7-15-8-2-6-14-15/h2,6,8,10,13H,1,3-5,7,9H2,(H,12,16).
What are the key properties of 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 115761179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).