6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C14H18N4O4 — CID 44820943

IUPAC6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCn1cc(NC(=O)C2CC=CCC2C(=O)O)c(C(N)=O)n1
InChIInChI=1S/C14H18N4O4/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14(21)22/h3-4,7-9H,2,5-6H2,1H3,(H2,15,19)(H,16,20)(H,21,22)
InChIKeyOVCJFJRQNKVWEB-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.61
Rot. Bonds5

About 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 44820943) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID44820943
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCn1cc(NC(=O)C2CC=CCC2C(=O)O)c(C(N)=O)n1
InChIInChI=1S/C14H18N4O4/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14(21)22/h3-4,7-9H,2,5-6H2,1H3,(H2,15,19)(H,16,20)(H,21,22)
InChIKeyOVCJFJRQNKVWEB-UHFFFAOYSA-N
XLogP0.61
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]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

Frequently Asked Questions

What is the IUPAC name of 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 44820943) is 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CCn1cc(NC(=O)C2CC=CCC2C(=O)O)c(C(N)=O)n1.
What is the InChIKey of 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is OVCJFJRQNKVWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-2-18-7-10(11(17-18)12(15)19)16-13(20)8-5-3-4-6-9(8)14(21)22/h3-4,7-9H,2,5-6H2,1H3,(H2,15,19)(H,16,20)(H,21,22).
What are the key properties of 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 44820943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).