(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate

C16H10F2N2O2 — CID 78868567

IUPAC(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate
SMILESO=C(Oc1ccccc1F)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H10F2N2O2/c17-11-5-1-3-7-14(11)20-10-9-13(19-20)16(21)22-15-8-4-2-6-12(15)18/h1-10H
InChIKeyXFDLPVGFJXEOFF-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.37
Rot. Bonds3

About (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate

(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 78868567) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate
PubChem CID78868567
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate
SMILESO=C(Oc1ccccc1F)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H10F2N2O2/c17-11-5-1-3-7-14(11)20-10-9-13(19-20)16(21)22-15-8-4-2-6-12(15)18/h1-10H
InChIKeyXFDLPVGFJXEOFF-UHFFFAOYSA-N
XLogP3.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 78866138
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 91653040
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-fluorophenyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyrazole-3-carboxamide
CID 99586713
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate (CID 78868567) is (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate is O=C(Oc1ccccc1F)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is XFDLPVGFJXEOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-11-5-1-3-7-14(11)20-10-9-13(19-20)16(21)22-15-8-4-2-6-12(15)18/h1-10H.
What are the key properties of (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate?
(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 300.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 78868567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).