4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C15H23N3O3 — CID 114511550

IUPAC4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)Cn2cccn2)C1
InChIInChI=1S/C15H23N3O3/c1-3-11-7-12(13(8-11)15(20)21)14(19)17-10(2)9-18-6-4-5-16-18/h4-6,10-13H,3,7-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVOZGEWPPOXFANX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.52
Rot. Bonds6

About 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114511550) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114511550
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)Cn2cccn2)C1
InChIInChI=1S/C15H23N3O3/c1-3-11-7-12(13(8-11)15(20)21)14(19)17-10(2)9-18-6-4-5-16-18/h4-6,10-13H,3,7-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVOZGEWPPOXFANX-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114511550) is 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(C)Cn2cccn2)C1.
What is the InChIKey of 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is VOZGEWPPOXFANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-11-7-12(13(8-11)15(20)21)14(19)17-10(2)9-18-6-4-5-16-18/h4-6,10-13H,3,7-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).