2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide

C13H22N4O — CID 107463005

IUPAC2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)cc1NC(=O)CC1(N)CCCC1
InChIInChI=1S/C13H22N4O/c1-3-10-11(9-17(2)16-10)15-12(18)8-13(14)6-4-5-7-13/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyQEMMRNCHFRPQMQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds4

About 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide

2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 107463005) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
PubChem CID107463005
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)cc1NC(=O)CC1(N)CCCC1
InChIInChI=1S/C13H22N4O/c1-3-10-11(9-17(2)16-10)15-12(18)8-13(14)6-4-5-7-13/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyQEMMRNCHFRPQMQ-UHFFFAOYSA-N
XLogP1.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide (CID 107463005) is 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide is CCc1nn(C)cc1NC(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is QEMMRNCHFRPQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10-11(9-17(2)16-10)15-12(18)8-13(14)6-4-5-7-13/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 107463005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).