2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid

C14H12F4N4O4 — CID 120524735

IUPAC2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n1
InChIInChI=1S/C14H12F4N4O4/c15-13(16)14(17,18)7-26-10-2-1-8(5-19-10)12(25)20-9-3-4-22(21-9)6-11(23)24/h1-5,13H,6-7H2,(H,23,24)(H,20,21,25)
InChIKeyAUQFBLIZVQAIKT-UHFFFAOYSA-N
MW376.27 g/mol
LogP1.89
Rot. Bonds8

About 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 120524735) has the molecular formula C14H12F4N4O4 and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID120524735
Molecular FormulaC14H12F4N4O4
Molecular Weight376.27 g/mol
Exact Mass376.08
IUPAC Name2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n1
InChIInChI=1S/C14H12F4N4O4/c15-13(16)14(17,18)7-26-10-2-1-8(5-19-10)12(25)20-9-3-4-22(21-9)6-11(23)24/h1-5,13H,6-7H2,(H,23,24)(H,20,21,25)
InChIKeyAUQFBLIZVQAIKT-UHFFFAOYSA-N
XLogP1.89
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 120524741
1-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350550
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119572061
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119568471
2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 138032511
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid
CID 120515566

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 120524735) is 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n1.
What is the InChIKey of 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is AUQFBLIZVQAIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O4/c15-13(16)14(17,18)7-26-10-2-1-8(5-19-10)12(25)20-9-3-4-22(21-9)6-11(23)24/h1-5,13H,6-7H2,(H,23,24)(H,20,21,25).
What are the key properties of 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 376.27 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 120524735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).