2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid

C7H8FN3O3 — CID 81298419

IUPAC2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCNC(=O)c1ccn(C(F)C(=O)O)n1
InChIInChI=1S/C7H8FN3O3/c1-9-6(12)4-2-3-11(10-4)5(8)7(13)14/h2-3,5H,1H3,(H,9,12)(H,13,14)
InChIKeyVXIBHGVPRHACAB-UHFFFAOYSA-N
MW201.16 g/mol
LogP-0.20
Rot. Bonds3

About 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid

2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 81298419) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID81298419
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCNC(=O)c1ccn(C(F)C(=O)O)n1
InChIInChI=1S/C7H8FN3O3/c1-9-6(12)4-2-3-11(10-4)5(8)7(13)14/h2-3,5H,1H3,(H,9,12)(H,13,14)
InChIKeyVXIBHGVPRHACAB-UHFFFAOYSA-N
XLogP-0.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
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
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
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
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid (CID 81298419) is 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid is CNC(=O)c1ccn(C(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is VXIBHGVPRHACAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-9-6(12)4-2-3-11(10-4)5(8)7(13)14/h2-3,5H,1H3,(H,9,12)(H,13,14).
What are the key properties of 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid?
2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 201.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[3-(methylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 81298419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).