3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole

C23H26FN3O2 — CID 70786991

IUPAC3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
SMILESCOC[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F
InChIInChI=1S/C23H26FN3O2/c1-28-16-19-9-6-12-26(19)14-17-15-27(18-7-4-3-5-8-18)25-23(17)21-11-10-20(29-2)13-22(21)24/h3-5,7-8,10-11,13,15,19H,6,9,12,14,16H2,1-2H3/t19-/m1/s1
InChIKeyIHXFRHZKTOTQSI-LJQANCHMSA-N
MW395.48 g/mol
LogP4.30
Rot. Bonds7

About 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole

3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole (PubChem CID 70786991) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
PubChem CID70786991
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
SMILESCOC[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F
InChIInChI=1S/C23H26FN3O2/c1-28-16-19-9-6-12-26(19)14-17-15-27(18-7-4-3-5-8-18)25-23(17)21-11-10-20(29-2)13-22(21)24/h3-5,7-8,10-11,13,15,19H,6,9,12,14,16H2,1-2H3/t19-/m1/s1
InChIKeyIHXFRHZKTOTQSI-LJQANCHMSA-N
XLogP4.30
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole (CID 70786991) is 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole is COC[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
The InChIKey is IHXFRHZKTOTQSI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-28-16-19-9-6-12-26(19)14-17-15-27(18-7-4-3-5-8-18)25-23(17)21-11-10-20(29-2)13-22(21)24/h3-5,7-8,10-11,13,15,19H,6,9,12,14,16H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole has a molecular weight of 395.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole is sourced from PubChem (CID 70786991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).