2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide

C14H23N3O2 — CID 111432305

IUPAC2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(CC1(O)CCCCC1)NCCCn1cccn1
InChIInChI=1S/C14H23N3O2/c18-13(12-14(19)6-2-1-3-7-14)15-8-4-10-17-11-5-9-16-17/h5,9,11,19H,1-4,6-8,10,12H2,(H,15,18)
InChIKeyBFYHECBOYDZXMB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide

2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 111432305) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID111432305
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(CC1(O)CCCCC1)NCCCn1cccn1
InChIInChI=1S/C14H23N3O2/c18-13(12-14(19)6-2-1-3-7-14)15-8-4-10-17-11-5-9-16-17/h5,9,11,19H,1-4,6-8,10,12H2,(H,15,18)
InChIKeyBFYHECBOYDZXMB-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
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

2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819
2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 104678011
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125431920
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331881
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide (CID 111432305) is 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide is O=C(CC1(O)CCCCC1)NCCCn1cccn1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is BFYHECBOYDZXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13(12-14(19)6-2-1-3-7-14)15-8-4-10-17-11-5-9-16-17/h5,9,11,19H,1-4,6-8,10,12H2,(H,15,18).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 111432305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).