4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole

C14H16FN3O — CID 117125087

IUPAC4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESFc1ccccc1Oc1cnn(CC2CCNC2)c1
InChIInChI=1S/C14H16FN3O/c15-13-3-1-2-4-14(13)19-12-8-17-18(10-12)9-11-5-6-16-7-11/h1-4,8,10-11,16H,5-7,9H2
InChIKeyPTIIJEDINDYHHC-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.42
Rot. Bonds4

About 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole

4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 117125087) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID117125087
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESFc1ccccc1Oc1cnn(CC2CCNC2)c1
InChIInChI=1S/C14H16FN3O/c15-13-3-1-2-4-14(13)19-12-8-17-18(10-12)9-11-5-6-16-7-11/h1-4,8,10-11,16H,5-7,9H2
InChIKeyPTIIJEDINDYHHC-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole (CID 117125087) is 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole is Fc1ccccc1Oc1cnn(CC2CCNC2)c1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is PTIIJEDINDYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-3-1-2-4-14(13)19-12-8-17-18(10-12)9-11-5-6-16-7-11/h1-4,8,10-11,16H,5-7,9H2.
What are the key properties of 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 261.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 117125087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).