2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide

C12H19N3O — CID 115593738

IUPAC2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)CC2CCCC2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-2-10-8-11(15-14-10)13-12(16)7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyTTWDFMBXJVOJFA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide

2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 115593738) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
PubChem CID115593738
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1cc(NC(=O)CC2CCCC2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-2-10-8-11(15-14-10)13-12(16)7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyTTWDFMBXJVOJFA-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide (CID 115593738) is 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is CCc1cc(NC(=O)CC2CCCC2)n[nH]1.
What is the InChIKey of 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is TTWDFMBXJVOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-10-8-11(15-14-10)13-12(16)7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide?
2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115593738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).