2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid

C6H6FN3O3 — CID 81298302

IUPAC2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid
SMILESNC(=O)c1ccn(C(F)C(=O)O)n1
InChIInChI=1S/C6H6FN3O3/c7-4(6(12)13)10-2-1-3(9-10)5(8)11/h1-2,4H,(H2,8,11)(H,12,13)
InChIKeyOKLCNGJKWKECIY-UHFFFAOYSA-N
MW187.13 g/mol
LogP-0.47
Rot. Bonds3

About 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid

2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid (PubChem CID 81298302) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid
PubChem CID81298302
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC Name2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid
SMILESNC(=O)c1ccn(C(F)C(=O)O)n1
InChIInChI=1S/C6H6FN3O3/c7-4(6(12)13)10-2-1-3(9-10)5(8)11/h1-2,4H,(H2,8,11)(H,12,13)
InChIKeyOKLCNGJKWKECIY-UHFFFAOYSA-N
XLogP-0.47
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-(4-oxo-4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-5-yl)acetic acid
CID 12814061
1-(2-fluoroethyl)-1H-pyrazole-5-carboxylic acid
CID 58356324
1-(2-Fluoroethyl)-1H-pyrazole-3-carboxylic acid
CID 58356374
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
1-ethyl-1H-pyrazole-3-carboxamide
CID 7017671
[2-(difluoromethyl)pyrazol-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51428515

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid (CID 81298302) is 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid is NC(=O)c1ccn(C(F)C(=O)O)n1.
What is the InChIKey of 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid?
The InChIKey is OKLCNGJKWKECIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c7-4(6(12)13)10-2-1-3(9-10)5(8)11/h1-2,4H,(H2,8,11)(H,12,13).
What are the key properties of 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid?
2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid has a molecular weight of 187.13 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylpyrazol-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).