4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole

C14H17N3O2 — CID 117125146

IUPAC4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
SMILESCOc1cccc(Oc2cnn(C3CCCN3)c2)c1
InChIInChI=1S/C14H17N3O2/c1-18-11-4-2-5-12(8-11)19-13-9-16-17(10-13)14-6-3-7-15-14/h2,4-5,8-10,14-15H,3,6-7H2,1H3
InChIKeyJSUYAQZAVWKAFD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds4

About 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole

4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole (PubChem CID 117125146) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
PubChem CID117125146
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
SMILESCOc1cccc(Oc2cnn(C3CCCN3)c2)c1
InChIInChI=1S/C14H17N3O2/c1-18-11-4-2-5-12(8-11)19-13-9-16-17(10-13)14-6-3-7-15-14/h2,4-5,8-10,14-15H,3,6-7H2,1H3
InChIKeyJSUYAQZAVWKAFD-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-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
CID 117125139
4-(1-pyrrolidin-2-ylpyrazol-4-yl)oxyphenol
CID 117125131
1-pyrrolidin-2-ylpyrazol-4-ol
CID 117124749
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055478
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125240
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole (CID 117125146) is 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole is COc1cccc(Oc2cnn(C3CCCN3)c2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
The InChIKey is JSUYAQZAVWKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-11-4-2-5-12(8-11)19-13-9-16-17(10-13)14-6-3-7-15-14/h2,4-5,8-10,14-15H,3,6-7H2,1H3.
What are the key properties of 4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole?
4-(3-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-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 117125146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).