1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid

C13H20N2O2 — CID 107430880

IUPAC1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid
SMILESCCc1nn(C(C)C2CC2)c(CC)c1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-10-12(13(16)17)11(5-2)15(14-10)8(3)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyOBMUYKMGRUQUOC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid

1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid (PubChem CID 107430880) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid
PubChem CID107430880
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid
SMILESCCc1nn(C(C)C2CC2)c(CC)c1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-10-12(13(16)17)11(5-2)15(14-10)8(3)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyOBMUYKMGRUQUOC-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carbaldehyde
CID 107430946
1-(1-cyclopropylethyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 61272690
1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
CID 82698096
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430847
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
1-[(4-bromophenyl)methyl]-3,5-diethylpyrazole-4-carboxylic acid
CID 107430899
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropylbutan-2-one
CID 114980481
3,5-diethyl-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 107430889
1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
CID 117124434
2-[1-(1-cyclopropylethyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408757
3,5-diethyl-1-pyrimidin-4-ylpyrazole-4-carboxylic acid
CID 107430910

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid (CID 107430880) is 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid is CCc1nn(C(C)C2CC2)c(CC)c1C(=O)O.
What is the InChIKey of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid?
The InChIKey is OBMUYKMGRUQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10-12(13(16)17)11(5-2)15(14-10)8(3)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid?
1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3,5-diethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 107430880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).