N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide

C16H20N4O — CID 62881715

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide
SMILESNc1ccc(-n2nccc2NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H20N4O/c17-13-5-7-14(8-6-13)20-15(9-10-18-20)19-16(21)11-12-3-1-2-4-12/h5-10,12H,1-4,11,17H2,(H,19,21)
InChIKeyFVMCNKYAOXAVEK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide

N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide (PubChem CID 62881715) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide
PubChem CID62881715
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide
SMILESNc1ccc(-n2nccc2NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H20N4O/c17-13-5-7-14(8-6-13)20-15(9-10-18-20)19-16(21)11-12-3-1-2-4-12/h5-10,12H,1-4,11,17H2,(H,19,21)
InChIKeyFVMCNKYAOXAVEK-UHFFFAOYSA-N
XLogP2.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide (CID 62881715) is N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide is Nc1ccc(-n2nccc2NC(=O)CC2CCCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide?
The InChIKey is FVMCNKYAOXAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-13-5-7-14(8-6-13)20-15(9-10-18-20)19-16(21)11-12-3-1-2-4-12/h5-10,12H,1-4,11,17H2,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 62881715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).