2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate

C15H12F2N4O2 — CID 86794909

IUPAC2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate
SMILESO=C(OCCc1cn[nH]c1)c1cn[nH]c1-c1c(F)cccc1F
InChIInChI=1S/C15H12F2N4O2/c16-11-2-1-3-12(17)13(11)14-10(8-20-21-14)15(22)23-5-4-9-6-18-19-7-9/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21)
InChIKeyXVPDKKFJJSIDNP-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.48
Rot. Bonds5

About 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate

2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate (PubChem CID 86794909) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate
PubChem CID86794909
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate
SMILESO=C(OCCc1cn[nH]c1)c1cn[nH]c1-c1c(F)cccc1F
InChIInChI=1S/C15H12F2N4O2/c16-11-2-1-3-12(17)13(11)14-10(8-20-21-14)15(22)23-5-4-9-6-18-19-7-9/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21)
InChIKeyXVPDKKFJJSIDNP-UHFFFAOYSA-N
XLogP2.48
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate (CID 86794909) is 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate is O=C(OCCc1cn[nH]c1)c1cn[nH]c1-c1c(F)cccc1F.
What is the InChIKey of 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate?
The InChIKey is XVPDKKFJJSIDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c16-11-2-1-3-12(17)13(11)14-10(8-20-21-14)15(22)23-5-4-9-6-18-19-7-9/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate?
2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate has a molecular weight of 318.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)ethyl 5-(2,6-difluorophenyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 86794909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).