1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid

C12H10FN3O3 — CID 19502590

IUPAC1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)cn1)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O3/c13-9-2-1-3-10(4-9)15-11(17)7-16-6-8(5-14-16)12(18)19/h1-6H,7H2,(H,15,17)(H,18,19)
InChIKeyIUILZRXVMJQZKX-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid

1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid (PubChem CID 19502590) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
PubChem CID19502590
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)cn1)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O3/c13-9-2-1-3-10(4-9)15-11(17)7-16-6-8(5-14-16)12(18)19/h1-6H,7H2,(H,15,17)(H,18,19)
InChIKeyIUILZRXVMJQZKX-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
1-[2-(2,6-dibromo-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502515
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
1-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19482868
1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
1-[3-(3-chloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482990
N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
CID 154455652
1-[2-[2-(difluoromethoxy)-4-fluoroanilino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502761
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid (CID 19502590) is 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid is O=C(Cn1cc(C(=O)O)cn1)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid?
The InChIKey is IUILZRXVMJQZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-9-2-1-3-10(4-9)15-11(17)7-16-6-8(5-14-16)12(18)19/h1-6H,7H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid?
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid has a molecular weight of 263.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19502590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).