5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid

C11H15N3O3 — CID 117218440

IUPAC5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C(=O)NC1CCC1
InChIInChI=1S/C11H15N3O3/c1-2-14-9(6-8(13-14)11(16)17)10(15)12-7-4-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyNPEYGHYAWKUCGR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.88
Rot. Bonds4

About 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid

5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid (PubChem CID 117218440) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
PubChem CID117218440
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C(=O)NC1CCC1
InChIInChI=1S/C11H15N3O3/c1-2-14-9(6-8(13-14)11(16)17)10(15)12-7-4-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyNPEYGHYAWKUCGR-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445
5-amino-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 117215420
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879294
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119890
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
N-(3,3-dimethylcyclopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 115881850
1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 146962352

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid (CID 117218440) is 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1C(=O)NC1CCC1.
What is the InChIKey of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
The InChIKey is NPEYGHYAWKUCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14-9(6-8(13-14)11(16)17)10(15)12-7-4-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117218440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).