2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid

C19H16FN3O3 — CID 142527051

IUPAC2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1F
InChIInChI=1S/C19H16FN3O3/c20-16-7-11(1-3-13(16)14-8-15(14)19(24)25)10-26-12-2-4-17(21-9-12)18-5-6-22-23-18/h1-7,9,14-15H,8,10H2,(H,22,23)(H,24,25)
InChIKeyKFDNWPQIWGOWHI-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.38
Rot. Bonds6

About 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid

2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 142527051) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID142527051
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1F
InChIInChI=1S/C19H16FN3O3/c20-16-7-11(1-3-13(16)14-8-15(14)19(24)25)10-26-12-2-4-17(21-9-12)18-5-6-22-23-18/h1-7,9,14-15H,8,10H2,(H,22,23)(H,24,25)
InChIKeyKFDNWPQIWGOWHI-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

Analyze 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790621
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 155790650
US11365192, Example 70-2
CID 137487714
US11365192, Example 43-1
CID 137487865
US11365192, Example 74-9
CID 137487897
US11365192, Example 11-1
CID 142526519
US11365192, Example 59-1
CID 142526587
US11365192, Example 70-1
CID 142526774
US11365192, Example 70-3
CID 142526822
US11365192, Example 60-1
CID 142526982
US11365192, Example 74-4
CID 147678875

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid (CID 142527051) is 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is KFDNWPQIWGOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-16-7-11(1-3-13(16)14-8-15(14)19(24)25)10-26-12-2-4-17(21-9-12)18-5-6-22-23-18/h1-7,9,14-15H,8,10H2,(H,22,23)(H,24,25).
What are the key properties of 2-[2-fluoro-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid?
2-[2-fluoro-4-[[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-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142527051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).