N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide

C13H22N4O — CID 54951795

IUPACN-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESO=C(CNCCn1cccn1)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c18-13(16-12-5-2-1-3-6-12)11-14-8-10-17-9-4-7-15-17/h4,7,9,12,14H,1-3,5-6,8,10-11H2,(H,16,18)
InChIKeyBCSJYXGZFFVAHC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.92
Rot. Bonds6

About N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide

N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide (PubChem CID 54951795) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
PubChem CID54951795
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESO=C(CNCCn1cccn1)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c18-13(16-12-5-2-1-3-6-12)11-14-8-10-17-9-4-7-15-17/h4,7,9,12,14H,1-3,5-6,8,10-11H2,(H,16,18)
InChIKeyBCSJYXGZFFVAHC-UHFFFAOYSA-N
XLogP0.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 62573457
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
N-cyclopentyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 54951287
N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
CID 111904839
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42452936
1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
CID 103247153
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
CID 56828866

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide (CID 54951795) is N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide is O=C(CNCCn1cccn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide?
The InChIKey is BCSJYXGZFFVAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c18-13(16-12-5-2-1-3-6-12)11-14-8-10-17-9-4-7-15-17/h4,7,9,12,14H,1-3,5-6,8,10-11H2,(H,16,18).
What are the key properties of N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide?
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide is sourced from PubChem (CID 54951795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).