5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid

C17H14FN3O4 — CID 75513499

IUPAC5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1-c1ccccc1F
InChIInChI=1S/C17H14FN3O4/c1-10-12(9-20-21(10)14-5-3-2-4-13(14)18)16(22)19-8-11-6-7-15(25-11)17(23)24/h2-7,9H,8H2,1H3,(H,19,22)(H,23,24)
InChIKeyIVKUWOFNGYZEHM-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.54
Rot. Bonds5

About 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 75513499) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID75513499
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1-c1ccccc1F
InChIInChI=1S/C17H14FN3O4/c1-10-12(9-20-21(10)14-5-3-2-4-13(14)18)16(22)19-8-11-6-7-15(25-11)17(23)24/h2-7,9H,8H2,1H3,(H,19,22)(H,23,24)
InChIKeyIVKUWOFNGYZEHM-UHFFFAOYSA-N
XLogP2.54
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 75513499) is 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid is Cc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1-c1ccccc1F.
What is the InChIKey of 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is IVKUWOFNGYZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-10-12(9-20-21(10)14-5-3-2-4-13(14)18)16(22)19-8-11-6-7-15(25-11)17(23)24/h2-7,9H,8H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 343.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 75513499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).