5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid

C11H10FN3O2 — CID 82589269

IUPAC5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1Cc1ccccc1F
InChIInChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)6-15-10(13)5-9(14-15)11(16)17/h1-5H,6,13H2,(H,16,17)
InChIKeyHUVWZGURQTVQPE-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.35
Rot. Bonds3

About 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid

5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid (PubChem CID 82589269) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
PubChem CID82589269
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1Cc1ccccc1F
InChIInChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)6-15-10(13)5-9(14-15)11(16)17/h1-5H,6,13H2,(H,16,17)
InChIKeyHUVWZGURQTVQPE-UHFFFAOYSA-N
XLogP1.35
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Benzylamino)-1H-pyrazole-5-carboxylic acid
CID 11992586
3-(dibenzylamino)-1H-pyrazole-5-carboxylic acid
CID 11992591
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
5-[(4-Methylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 154636998
Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-
CID 121029
3-Bromo-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 2872378
1-Benzyl-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168271053
1-[(3,5-Dimethylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168274334
1-[(3,4-Difluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276085
1-[(2-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276760
1-[(4-Acetylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168278286
5-[(4-Methylbenzoyl)amino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 168278836

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid (CID 82589269) is 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid is Nc1cc(C(=O)O)nn1Cc1ccccc1F.
What is the InChIKey of 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is HUVWZGURQTVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)6-15-10(13)5-9(14-15)11(16)17/h1-5H,6,13H2,(H,16,17).
What are the key properties of 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid?
5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 82589269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).