3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid

C11H10FN3O2 — CID 19624681

IUPAC3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H10FN3O2/c12-8-3-1-7(2-4-8)6-13-10-5-9(11(16)17)14-15-10/h1-5H,6H2,(H,16,17)(H2,13,14,15)
InChIKeyGIPFLLOMXAUYFK-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.86
Rot. Bonds4

About 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid

3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 19624681) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID19624681
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H10FN3O2/c12-8-3-1-7(2-4-8)6-13-10-5-9(11(16)17)14-15-10/h1-5H,6H2,(H,16,17)(H2,13,14,15)
InChIKeyGIPFLLOMXAUYFK-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-difluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624686
4-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192877
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351
3-[3-(4-fluorophenoxy)propanoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529225
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
3-fluoro-4-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710952
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid (CID 19624681) is 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NCc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GIPFLLOMXAUYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-3-1-7(2-4-8)6-13-10-5-9(11(16)17)14-15-10/h1-5H,6H2,(H,16,17)(H2,13,14,15).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid?
3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 19624681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).