3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid

C15H23N3O3 — CID 119347771

IUPAC3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cn(C)nc1C1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-10(8-13(19)20)16-15(21)12-9-18(2)17-14(12)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyFIPXXHTWSLPYCX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.06
Rot. Bonds5

About 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid

3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 119347771) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID119347771
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cn(C)nc1C1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-10(8-13(19)20)16-15(21)12-9-18(2)17-14(12)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyFIPXXHTWSLPYCX-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid (CID 119347771) is 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1cn(C)nc1C1CCCCC1.
What is the InChIKey of 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is FIPXXHTWSLPYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(8-13(19)20)16-15(21)12-9-18(2)17-14(12)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid?
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).