2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide

C12H16FN3O — CID 167813905

IUPAC2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(F)c1NC(=O)CC1=CCCCC1
InChIInChI=1S/C12H16FN3O/c1-16-12(10(13)8-14-16)15-11(17)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7H2,1H3,(H,15,17)
InChIKeyCRHKSZNWPVJNFQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.39
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide

2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide (PubChem CID 167813905) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide
PubChem CID167813905
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide
SMILESCn1ncc(F)c1NC(=O)CC1=CCCCC1
InChIInChI=1S/C12H16FN3O/c1-16-12(10(13)8-14-16)15-11(17)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7H2,1H3,(H,15,17)
InChIKeyCRHKSZNWPVJNFQ-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.39
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 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide (CID 167813905) is 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide is Cn1ncc(F)c1NC(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
The InChIKey is CRHKSZNWPVJNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16-12(10(13)8-14-16)15-11(17)7-9-5-3-2-4-6-9/h5,8H,2-4,6-7H2,1H3,(H,15,17).
What are the key properties of 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide?
2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide has a molecular weight of 237.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(4-fluoro-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 167813905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).