ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate

C11H16N2O2 — CID 119055009

IUPACethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C1CC(C)C1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)9-6-12-13-10(9)8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyVCBVGJKXXGCGIC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds3

About ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate

ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate (PubChem CID 119055009) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
PubChem CID119055009
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C1CC(C)C1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)9-6-12-13-10(9)8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyVCBVGJKXXGCGIC-UHFFFAOYSA-N
XLogP2.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19599802
ethyl 5-(2-chloro-2-oxoethyl)-1H-pyrazole-4-carboxylate
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CID 126831834
ethyl 5-[1-[(1-tert-butyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
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ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
CID 175411581
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879
ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate
CID 70087855
1-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl]-5-methylpiperidine-3-carboxylic acid
CID 122105623
6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
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ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate (CID 119055009) is ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1C1CC(C)C1.
What is the InChIKey of ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate?
The InChIKey is VCBVGJKXXGCGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)9-6-12-13-10(9)8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 119055009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).