N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C13H22N4O — CID 43648264

IUPACN-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCCNC2CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(2)17(16-10)9-13(18)15-7-3-6-14-12-4-5-12/h8,12,14H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyZKWZSRWLWKHNBF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.76
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 43648264) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID43648264
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCCNC2CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(2)17(16-10)9-13(18)15-7-3-6-14-12-4-5-12/h8,12,14H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyZKWZSRWLWKHNBF-UHFFFAOYSA-N
XLogP0.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.76
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

2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-(3-trimethoxysilylpropyl)acetamide
CID 156761758
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955365
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040075
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19526842
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothian-4-amine
CID 114536309

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 43648264) is N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NCCCNC2CC2)n1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is ZKWZSRWLWKHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-11(2)17(16-10)9-13(18)15-7-3-6-14-12-4-5-12/h8,12,14H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 43648264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).