ethyl 1-cyclobutylpyrazole-4-carboxylate

C10H14N2O2 — CID 141184163

IUPACethyl 1-cyclobutylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCC2)c1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-6-11-12(7-8)9-4-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyIMXJIMJCCLCYRK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.78
Rot. Bonds3

About ethyl 1-cyclobutylpyrazole-4-carboxylate

ethyl 1-cyclobutylpyrazole-4-carboxylate (PubChem CID 141184163) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 1-cyclobutylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclobutylpyrazole-4-carboxylate
PubChem CID141184163
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 1-cyclobutylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCC2)c1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-6-11-12(7-8)9-4-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyIMXJIMJCCLCYRK-UHFFFAOYSA-N
XLogP1.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 784155
methyl 1-methyl-1H-pyrazole-4-carboxylate
CID 10130004
ethyl 1-methyl-1H-pyrazole-4-carboxylate
CID 11116265
Ethyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate
CID 2758821
2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
2-(4-(methoxycarbonyl)-1H-pyrazol-1-yl)acetic acid
CID 19576734
Ethyl 5-Bromo-1-methyl-1H-pyrazole-4-carboxylate
CID 53302113
1-cyclobutyl-1H-pyrazole-4-carboxylic acid
CID 56604618
1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 56604619
ethyl 1-tert-butyl-5-iodo-1H-pyrazole-4-carboxylate
CID 67491466
1-(oxetan-3-yl)-1H-pyrazole-4-carboxylic acid
CID 68379831
1-cyclobutyl-1H-pyrazole-4-carbaldehyde
CID 83872455

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclobutylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-cyclobutylpyrazole-4-carboxylate (CID 141184163) is ethyl 1-cyclobutylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclobutylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-cyclobutylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C2CCC2)c1.
What is the InChIKey of ethyl 1-cyclobutylpyrazole-4-carboxylate?
The InChIKey is IMXJIMJCCLCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)8-6-11-12(7-8)9-4-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of ethyl 1-cyclobutylpyrazole-4-carboxylate?
ethyl 1-cyclobutylpyrazole-4-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclobutylpyrazole-4-carboxylate is sourced from PubChem (CID 141184163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).