4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 43341499

IUPAC4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)CCn2cccn2)(C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-12-4-7-15(8-5-12,14(20)21)17-13(19)6-11-18-10-3-9-16-18/h3,9-10,12H,2,4-8,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyDBFWCDHENREDLW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds6

About 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 43341499) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID43341499
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)CCn2cccn2)(C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-12-4-7-15(8-5-12,14(20)21)17-13(19)6-11-18-10-3-9-16-18/h3,9-10,12H,2,4-8,11H2,1H3,(H,17,19)(H,20,21)
InChIKeyDBFWCDHENREDLW-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (CID 43341499) is 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)CCn2cccn2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DBFWCDHENREDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-12-4-7-15(8-5-12,14(20)21)17-13(19)6-11-18-10-3-9-16-18/h3,9-10,12H,2,4-8,11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).