N-[1-(1H-pyrazol-4-yl)ethyl]octanamide

C13H23N3O — CID 103856713

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]octanamide
SMILESCCCCCCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-8-13(17)16-11(2)12-9-14-15-10-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKLEKZDMQDJNDPH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.95
Rot. Bonds8

About N-[1-(1H-pyrazol-4-yl)ethyl]octanamide

N-[1-(1H-pyrazol-4-yl)ethyl]octanamide (PubChem CID 103856713) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]octanamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]octanamide
PubChem CID103856713
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]octanamide
SMILESCCCCCCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-8-13(17)16-11(2)12-9-14-15-10-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKLEKZDMQDJNDPH-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
CID 104696534
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
(2S)-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]octan-2-amine
CID 124672844

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]octanamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]octanamide (CID 103856713) is N-[1-(1H-pyrazol-4-yl)ethyl]octanamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]octanamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]octanamide is CCCCCCCC(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]octanamide?
The InChIKey is KLEKZDMQDJNDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-7-8-13(17)16-11(2)12-9-14-15-10-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]octanamide?
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide has a molecular weight of 237.35 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]octanamide is sourced from PubChem (CID 103856713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).