4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole

C14H17N3O2 — CID 117125139

IUPAC4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
SMILESCOc1ccccc1Oc1cnn(C2CCCN2)c1
InChIInChI=1S/C14H17N3O2/c1-18-12-5-2-3-6-13(12)19-11-9-16-17(10-11)14-7-4-8-15-14/h2-3,5-6,9-10,14-15H,4,7-8H2,1H3
InChIKeyKIYGTKLXYFKGIC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds4

About 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole

4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole (PubChem CID 117125139) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
PubChem CID117125139
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
SMILESCOc1ccccc1Oc1cnn(C2CCCN2)c1
InChIInChI=1S/C14H17N3O2/c1-18-12-5-2-3-6-13(12)19-11-9-16-17(10-11)14-7-4-8-15-14/h2-3,5-6,9-10,14-15H,4,7-8H2,1H3
InChIKeyKIYGTKLXYFKGIC-UHFFFAOYSA-N
XLogP2.57
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol
CID 117125131
1-pyrrolidin-2-ylpyrazol-4-ol
CID 117124749
1-(4-fluorophenyl)-4-(2-methoxyphenoxy)pyrazole
CID 117229286
2-(1-cyclohexylpyrazol-4-yl)oxyphenol
CID 117229305
3-[4-(2-fluorophenoxy)pyrazol-1-yl]azepane
CID 117124986
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
CID 117125009
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(5-chloro-4-methoxypyrazol-1-yl)piperidine
CID 117232188
1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
6-[(2-methoxyphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678572
1-cyclopentyl-4-pyrrolidin-2-yloxypyrazole
CID 117233897

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole (CID 117125139) is 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole is COc1ccccc1Oc1cnn(C2CCCN2)c1.
What is the InChIKey of 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
The InChIKey is KIYGTKLXYFKGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-5-2-3-6-13(12)19-11-9-16-17(10-11)14-7-4-8-15-14/h2-3,5-6,9-10,14-15H,4,7-8H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole has a molecular weight of 259.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 117125139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).