ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate

C15H15FN2O2 — CID 63234939

IUPACethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C15H15FN2O2/c1-2-20-15(19)13-9-17-18(14(13)10-3-4-10)12-7-5-11(16)6-8-12/h5-10H,2-4H2,1H3
InChIKeyPJBATXOQCNZFIP-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.07
Rot. Bonds4

About ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate (PubChem CID 63234939) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
PubChem CID63234939
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Nameethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C15H15FN2O2/c1-2-20-15(19)13-9-17-18(14(13)10-3-4-10)12-7-5-11(16)6-8-12/h5-10H,2-4H2,1H3
InChIKeyPJBATXOQCNZFIP-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate (CID 63234939) is ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The InChIKey is PJBATXOQCNZFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-20-15(19)13-9-17-18(14(13)10-3-4-10)12-7-5-11(16)6-8-12/h5-10H,2-4H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 63234939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).