5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid

C18H14FN3O3 — CID 68885632

IUPAC5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C18H14FN3O3/c1-11-15(18(24)25)21-22(12-7-3-2-4-8-12)16(11)20-17(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,23)(H,24,25)
InChIKeyGMMNYRURDILUPL-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.27
Rot. Bonds4

About 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid

5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid (PubChem CID 68885632) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid
PubChem CID68885632
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C18H14FN3O3/c1-11-15(18(24)25)21-22(12-7-3-2-4-8-12)16(11)20-17(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,23)(H,24,25)
InChIKeyGMMNYRURDILUPL-UHFFFAOYSA-N
XLogP3.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid (CID 68885632) is 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(-c2ccccc2)c1NC(=O)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is GMMNYRURDILUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-11-15(18(24)25)21-22(12-7-3-2-4-8-12)16(11)20-17(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,23)(H,24,25).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid?
5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 339.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-4-methyl-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 68885632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).