2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid

C19H16FN3O3 — CID 142526822

IUPAC2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1F
InChIInChI=1S/C19H16FN3O3/c20-18-11(2-1-3-13(18)14-8-15(14)19(24)25)10-26-12-4-5-16(21-9-12)17-6-7-22-23-17/h1-7,9,14-15H,8,10H2,(H,22,23)(H,24,25)
InChIKeyMAEXTXDEMKSWAF-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.38
Rot. Bonds6

About 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid

2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 142526822) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID142526822
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1F
InChIInChI=1S/C19H16FN3O3/c20-18-11(2-1-3-13(18)14-8-15(14)19(24)25)10-26-12-4-5-16(21-9-12)17-6-7-22-23-17/h1-7,9,14-15H,8,10H2,(H,22,23)(H,24,25)
InChIKeyMAEXTXDEMKSWAF-UHFFFAOYSA-N
XLogP3.38
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid (CID 142526822) is 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1F.
What is the InChIKey of 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MAEXTXDEMKSWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-18-11(2-1-3-13(18)14-8-15(14)19(24)25)10-26-12-4-5-16(21-9-12)17-6-7-22-23-17/h1-7,9,14-15H,8,10H2,(H,22,23)(H,24,25).
What are the key properties of 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142526822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).