2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C15H16FN3O3 — CID 130252192

IUPAC2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCC1(F)CC(COc2ccnn2-c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C15H16FN3O3/c1-15(16)7-10(8-15)9-22-13-3-5-18-19(13)12-6-11(14(20)21)2-4-17-12/h2-6,10H,7-9H2,1H3,(H,20,21)
InChIKeyMAADPFZJFWBVHQ-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.48
Rot. Bonds5

About 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 130252192) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID130252192
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCC1(F)CC(COc2ccnn2-c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C15H16FN3O3/c1-15(16)7-10(8-15)9-22-13-3-5-18-19(13)12-6-11(14(20)21)2-4-17-12/h2-6,10H,7-9H2,1H3,(H,20,21)
InChIKeyMAADPFZJFWBVHQ-UHFFFAOYSA-N
XLogP2.48
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{5-[(4-Chloro-2-Methylphenyl)methoxy]-1h-Pyrazol-1-Yl}pyridine-4-Carboxylic Acid
CID 74766595
2-(5-((4-Chlorobenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204862
2-[5-[(4-Fluorophenyl)methoxy]-4-(2-hydroxyethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205053
2-(5-(benzyloxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 86725535
2-[5-[(4-Cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725568
2-(4-[2-(Dimethylamino)ethyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205353
2-(5-{[4-(trifluoromethyl)benzyl]oxy}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90204812
2-(5-((4-Methoxybenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204861
2-[5-[(4-Fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-{5-[(4-bromobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204921
2-{5-[(4-cyclopropylbenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204958
2-{5-[(2-fluorobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204997

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 130252192) is 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CC1(F)CC(COc2ccnn2-c2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MAADPFZJFWBVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-15(16)7-10(8-15)9-22-13-3-5-18-19(13)12-6-11(14(20)21)2-4-17-12/h2-6,10H,7-9H2,1H3,(H,20,21).
What are the key properties of 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 130252192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).