ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate

C19H17FN2O2 — CID 91872759

IUPACethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN2O2/c1-2-24-19(23)17-12-18(15-6-4-3-5-7-15)22(21-17)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3
InChIKeyNEVIMHZXFBJRFU-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.91
Rot. Bonds5

About ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate

ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate (PubChem CID 91872759) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
PubChem CID91872759
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Nameethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN2O2/c1-2-24-19(23)17-12-18(15-6-4-3-5-7-15)22(21-17)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3
InChIKeyNEVIMHZXFBJRFU-UHFFFAOYSA-N
XLogP3.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
ethyl 1-benzyl-5-[1-[(4-fluorophenyl)methyl]indol-3-yl]pyrazole-3-carboxylate
CID 141254425
ethyl 5-(1-benzylindol-3-yl)-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 141254427
ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate
CID 50905140
1-benzyl-5-phenylpyrazole-3-carbohydrazide
CID 91871673
ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 91872726
1-benzyl-5-(4-fluorophenyl)-3-methylpyrazole
CID 59281596
ethyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 82589221
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
ethyl 1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 2764580

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate (CID 91872759) is ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate?
The InChIKey is NEVIMHZXFBJRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-24-19(23)17-12-18(15-6-4-3-5-7-15)22(21-17)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate?
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 91872759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).