ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate

C10H14N2O3 — CID 165436337

IUPACethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCC1CC1
InChIInChI=1S/C10H14N2O3/c1-2-14-10(13)8-5-11-12-9(8)15-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyVEJQMUVVTFZEHX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.38
Rot. Bonds5

About ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate

ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate (PubChem CID 165436337) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
PubChem CID165436337
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCC1CC1
InChIInChI=1S/C10H14N2O3/c1-2-14-10(13)8-5-11-12-9(8)15-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyVEJQMUVVTFZEHX-UHFFFAOYSA-N
XLogP1.38
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
CID 167988724
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
CID 167754522
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate
CID 167977991
ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate
CID 167750622
ethyl 5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate;hydrochloride
CID 119990366
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
CID 175411581
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate (CID 165436337) is ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1OCC1CC1.
What is the InChIKey of ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate?
The InChIKey is VEJQMUVVTFZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-14-10(13)8-5-11-12-9(8)15-6-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,11,12).
What are the key properties of ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate?
ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 165436337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).