N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

C15H23N3O — CID 131924118

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-13(12-18-11-5-9-17-18)15(19)16-10-8-14-6-3-2-4-7-14/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H,16,19)
InChIKeyIDVNJNCYDOLKBK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 131924118) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID131924118
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-13(12-18-11-5-9-17-18)15(19)16-10-8-14-6-3-2-4-7-14/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H,16,19)
InChIKeyIDVNJNCYDOLKBK-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126425791
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111208815
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111208814
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
1-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622437
(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
CID 164640614
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 131924118) is N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is CC(Cn1cccn1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is IDVNJNCYDOLKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(12-18-11-5-9-17-18)15(19)16-10-8-14-6-3-2-4-7-14/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H,16,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 131924118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).