methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate

C14H15FN2O4 — CID 130223044

IUPACmethyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
SMILESCOCCOc1c(C(=O)OC)cnn1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4/c1-19-7-8-21-13-12(14(18)20-2)9-16-17(13)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyDUZHBYYYTOXKNS-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.82
Rot. Bonds6

About methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate

methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate (PubChem CID 130223044) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
PubChem CID130223044
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Namemethyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
SMILESCOCCOc1c(C(=O)OC)cnn1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4/c1-19-7-8-21-13-12(14(18)20-2)9-16-17(13)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyDUZHBYYYTOXKNS-UHFFFAOYSA-N
XLogP1.82
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate (CID 130223044) is methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate is COCCOc1c(C(=O)OC)cnn1-c1ccc(F)cc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate?
The InChIKey is DUZHBYYYTOXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-19-7-8-21-13-12(14(18)20-2)9-16-17(13)11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate?
methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate has a molecular weight of 294.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate is sourced from PubChem (CID 130223044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).