5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole

C14H16FN3O — CID 110089342

IUPAC5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole
SMILESFc1ccccc1OCc1cc(C2CCNC2)n[nH]1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-4-14(12)19-9-11-7-13(18-17-11)10-5-6-16-8-10/h1-4,7,10,16H,5-6,8-9H2,(H,17,18)
InChIKeyKWPDZYSIGCNVQZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.20
Rot. Bonds4

About 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole

5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole (PubChem CID 110089342) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole
PubChem CID110089342
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole
SMILESFc1ccccc1OCc1cc(C2CCNC2)n[nH]1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-4-14(12)19-9-11-7-13(18-17-11)10-5-6-16-8-10/h1-4,7,10,16H,5-6,8-9H2,(H,17,18)
InChIKeyKWPDZYSIGCNVQZ-UHFFFAOYSA-N
XLogP2.20
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804657
5-[2-(2-chlorophenoxy)ethyl]-3-[(3S)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804658
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95832176
5-[2-(2-fluorophenoxy)ethyl]-3-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 95831342
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
CID 90920394
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
3-(1-cyclopentylsulfonylpyrrolidin-3-yl)-5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazole
CID 110261543
[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95218664
1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95831371
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42596640

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole (CID 110089342) is 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole is Fc1ccccc1OCc1cc(C2CCNC2)n[nH]1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole?
The InChIKey is KWPDZYSIGCNVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-3-1-2-4-14(12)19-9-11-7-13(18-17-11)10-5-6-16-8-10/h1-4,7,10,16H,5-6,8-9H2,(H,17,18).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole?
5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole has a molecular weight of 261.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole is sourced from PubChem (CID 110089342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).