6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

C14H19N3O3 — CID 104693312

IUPAC6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCn1nccc1CCNC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-17-10(7-9-16-17)6-8-15-13(18)11-4-2-3-5-12(11)14(19)20/h2-3,7,9,11-12H,4-6,8H2,1H3,(H,15,18)(H,19,20)
InChIKeyRFMPNEXFMWLGTH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.75
Rot. Bonds5

About 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 104693312) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID104693312
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCn1nccc1CCNC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-17-10(7-9-16-17)6-8-15-13(18)11-4-2-3-5-12(11)14(19)20/h2-3,7,9,11-12H,4-6,8H2,1H3,(H,15,18)(H,19,20)
InChIKeyRFMPNEXFMWLGTH-UHFFFAOYSA-N
XLogP0.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R)-6-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 26871279
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
3-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 104693320
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
CID 103007240
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63332330
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492505

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 104693312) is 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is Cn1nccc1CCNC(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is RFMPNEXFMWLGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-10(7-9-16-17)6-8-15-13(18)11-4-2-3-5-12(11)14(19)20/h2-3,7,9,11-12H,4-6,8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 104693312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).