ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate

C10H14N6O2 — CID 79317933

IUPACethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1cnn(CC)c1
InChIInChI=1S/C10H14N6O2/c1-3-15-6-8(5-11-15)7-16-9(12-13-14-16)10(17)18-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyOKXQUOQBEVSQEE-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.11
Rot. Bonds5

About ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate

ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate (PubChem CID 79317933) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate
PubChem CID79317933
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Nameethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1Cc1cnn(CC)c1
InChIInChI=1S/C10H14N6O2/c1-3-15-6-8(5-11-15)7-16-9(12-13-14-16)10(17)18-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyOKXQUOQBEVSQEE-UHFFFAOYSA-N
XLogP0.11
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]tetrazole-5-carboxylate
CID 113365960
ethyl 1-[(3,5-difluorophenyl)methyl]tetrazole-5-carboxylate
CID 105411051
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
methyl 1-[(1-ethylpyrazol-4-yl)methyl]-5-(methoxymethyl)triazole-4-carboxylate
CID 102643750
ethyl 1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]tetrazole-5-carboxylate
CID 79318323
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
ethyl 1-(2-pyridin-4-ylethyl)tetrazole-5-carboxylate
CID 79317617
ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
CID 79317940
ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate
CID 79309593
ethyl 1-[(5-bromofuran-2-yl)methyl]tetrazole-5-carboxylate
CID 79317853
1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 62126743

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate (CID 79317933) is ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1Cc1cnn(CC)c1.
What is the InChIKey of ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate?
The InChIKey is OKXQUOQBEVSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-3-15-6-8(5-11-15)7-16-9(12-13-14-16)10(17)18-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate?
ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate has a molecular weight of 250.26 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-ethylpyrazol-4-yl)methyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79317933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).