N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide

C12H19N3O — CID 39854803

IUPACN-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCCn1cc(CNC(=O)C2CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-10(8-14-15)7-13-12(16)11-5-3-4-6-11/h8-9,11H,2-7H2,1H3,(H,13,16)
InChIKeyIMGPUBPOUHSTII-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide

N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 39854803) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
PubChem CID39854803
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
SMILESCCn1cc(CNC(=O)C2CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-10(8-14-15)7-13-12(16)11-5-3-4-6-11/h8-9,11H,2-7H2,1H3,(H,13,16)
InChIKeyIMGPUBPOUHSTII-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide (CID 39854803) is N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide is CCn1cc(CNC(=O)C2CCCC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is IMGPUBPOUHSTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-10(8-14-15)7-13-12(16)11-5-3-4-6-11/h8-9,11H,2-7H2,1H3,(H,13,16).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 39854803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).