1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid

C16H8F2N4O2 — CID 86300156

IUPAC1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)ncc1-c1cc(F)ccc1F
InChIInChI=1S/C16H8F2N4O2/c17-11-1-2-14(18)12(4-11)13-7-20-15(3-9(13)5-19)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24)
InChIKeyPHDRBNNZXMXAAP-UHFFFAOYSA-N
MW326.26 g/mol
LogP2.78
Rot. Bonds3

About 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid

1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 86300156) has the molecular formula C16H8F2N4O2 and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID86300156
Molecular FormulaC16H8F2N4O2
Molecular Weight326.26 g/mol
Exact Mass326.06
IUPAC Name1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cc(C(=O)O)cn2)ncc1-c1cc(F)ccc1F
InChIInChI=1S/C16H8F2N4O2/c17-11-1-2-14(18)12(4-11)13-7-20-15(3-9(13)5-19)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24)
InChIKeyPHDRBNNZXMXAAP-UHFFFAOYSA-N
XLogP2.78
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid (CID 86300156) is 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid is N#Cc1cc(-n2cc(C(=O)O)cn2)ncc1-c1cc(F)ccc1F.
What is the InChIKey of 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is PHDRBNNZXMXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N4O2/c17-11-1-2-14(18)12(4-11)13-7-20-15(3-9(13)5-19)22-8-10(6-21-22)16(23)24/h1-4,6-8H,(H,23,24).
What are the key properties of 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 326.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 86300156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).