2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid

C8H10FN3O3 — CID 81298518

IUPAC2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid
SMILESCN(C)C(=O)c1ccn(C(F)C(=O)O)n1
InChIInChI=1S/C8H10FN3O3/c1-11(2)7(13)5-3-4-12(10-5)6(9)8(14)15/h3-4,6H,1-2H3,(H,14,15)
InChIKeyKBVAABNNFZDKPV-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.14
Rot. Bonds3

About 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid

2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid (PubChem CID 81298518) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid
PubChem CID81298518
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid
SMILESCN(C)C(=O)c1ccn(C(F)C(=O)O)n1
InChIInChI=1S/C8H10FN3O3/c1-11(2)7(13)5-3-4-12(10-5)6(9)8(14)15/h3-4,6H,1-2H3,(H,14,15)
InChIKeyKBVAABNNFZDKPV-UHFFFAOYSA-N
XLogP0.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
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
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 4534181
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
4-[(1-propionyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 754448
1-ethyl-1H-pyrazole-3-carboxamide
CID 7017671

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid?
The IUPAC name of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid (CID 81298518) is 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid?
The canonical SMILES for 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid is CN(C)C(=O)c1ccn(C(F)C(=O)O)n1.
What is the InChIKey of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid?
The InChIKey is KBVAABNNFZDKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-11(2)7(13)5-3-4-12(10-5)6(9)8(14)15/h3-4,6H,1-2H3,(H,14,15).
What are the key properties of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid?
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid has a molecular weight of 215.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-fluoroacetic acid is sourced from PubChem (CID 81298518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).