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

C15H26N4O — CID 115574328

IUPAC2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)CNC2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-12-10-13(2)19(18-12)9-5-8-16-15(20)11-17-14-6-3-4-7-14/h10,14,17H,3-9,11H2,1-2H3,(H,16,20)
InChIKeyQCZMAWYAXPIOAP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.54
Rot. Bonds7

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

2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 115574328) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
PubChem CID115574328
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1cc(C)n(CCCNC(=O)CNC2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-12-10-13(2)19(18-12)9-5-8-16-15(20)11-17-14-6-3-4-7-14/h10,14,17H,3-9,11H2,1-2H3,(H,16,20)
InChIKeyQCZMAWYAXPIOAP-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.54
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

1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
N-cyclohexyl-2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111280151
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
N-[3-(cyclopropylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43648264
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 30288555
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (CID 115574328) is 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is Cc1cc(C)n(CCCNC(=O)CNC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is QCZMAWYAXPIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-10-13(2)19(18-12)9-5-8-16-15(20)11-17-14-6-3-4-7-14/h10,14,17H,3-9,11H2,1-2H3,(H,16,20).
What are the key properties of 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 115574328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).