2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 115886751

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-13-10(9-18(2)17-13)8-16-14(19)11-6-4-5-7-12(11)15(20)21/h9,11-12H,3-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyWGBBEDVEPAACNU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.49
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 115886751) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID115886751
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-13-10(9-18(2)17-13)8-16-14(19)11-6-4-5-7-12(11)15(20)21/h9,11-12H,3-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyWGBBEDVEPAACNU-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 115989215
1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 115991089
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 82732011
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 115886750
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 115886751) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCc1nn(C)cc1CNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WGBBEDVEPAACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-13-10(9-18(2)17-13)8-16-14(19)11-6-4-5-7-12(11)15(20)21/h9,11-12H,3-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115886751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).