5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid

C11H16N2O2 — CID 105461886

IUPAC5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)n[nH]c1C1CCCC1
InChIInChI=1S/C11H16N2O2/c1-2-8-9(7-5-3-4-6-7)12-13-10(8)11(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVMDJFSJUFOPTAG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds3

About 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid

5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid (PubChem CID 105461886) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid
PubChem CID105461886
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)n[nH]c1C1CCCC1
InChIInChI=1S/C11H16N2O2/c1-2-8-9(7-5-3-4-6-7)12-13-10(8)11(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVMDJFSJUFOPTAG-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105433344
2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid
CID 82373662
5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
CID 105461888
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
CID 105480565
4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
CID 177335577
ethyl 5-cycloheptyl-2H-triazole-4-carboxylate
CID 165488917
ethane;ethyl 5-cyclopropyl-4-methyl-1H-pyrazole-3-carboxylate
CID 166528664
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
5-bromo-4-propyl-1H-pyrazole-3-carboxylic acid
CID 119053780
2-(5-cyclopentyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155737889
(2S,3S)-3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 89135514
4-ethyl-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62906383

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid (CID 105461886) is 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid is CCc1c(C(=O)O)n[nH]c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is VMDJFSJUFOPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-9(7-5-3-4-6-7)12-13-10(8)11(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid?
5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 105461886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).