2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide

C16H28N4O — CID 79572159

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCn1nc(C)cc1C
InChIInChI=1S/C16H28N4O/c1-4-9-18-16(15(17)21)8-5-6-14(16)7-10-20-13(3)11-12(2)19-20/h11,14,18H,4-10H2,1-3H3,(H2,17,21)
InChIKeyMNHZMMCTYLMPDU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.91
Rot. Bonds7

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 79572159) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID79572159
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCn1nc(C)cc1C
InChIInChI=1S/C16H28N4O/c1-4-9-18-16(15(17)21)8-5-6-14(16)7-10-20-13(3)11-12(2)19-20/h11,14,18H,4-10H2,1-3H3,(H2,17,21)
InChIKeyMNHZMMCTYLMPDU-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572258
2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 107781978
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79568028
1-(ethylamino)-2-[2-(4-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79571060
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79566294
2-[2-[methyl(3-methylbutyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79564978
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79563801
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
1-(ethylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79576861
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577082
2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide (CID 79572159) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCn1nc(C)cc1C.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is MNHZMMCTYLMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-18-16(15(17)21)8-5-6-14(16)7-10-20-13(3)11-12(2)19-20/h11,14,18H,4-10H2,1-3H3,(H2,17,21).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79572159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).