N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide

C15H23N3O — CID 77094704

IUPACN-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCC(NC(=O)CCc1ccnn1C)C1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-12(13-6-4-3-5-7-13)17-15(19)9-8-14-10-11-16-18(14)2/h6,10-12H,3-5,7-9H2,1-2H3,(H,17,19)
InChIKeyUHBGEGMQKBZNOV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 77094704) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID77094704
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCC(NC(=O)CCc1ccnn1C)C1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-12(13-6-4-3-5-7-13)17-15(19)9-8-14-10-11-16-18(14)2/h6,10-12H,3-5,7-9H2,1-2H3,(H,17,19)
InChIKeyUHBGEGMQKBZNOV-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 77094704) is N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide is CC(NC(=O)CCc1ccnn1C)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is UHBGEGMQKBZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(13-6-4-3-5-7-13)17-15(19)9-8-14-10-11-16-18(14)2/h6,10-12H,3-5,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 77094704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).