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

C14H16FN3O — CID 117125081

IUPAC4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESFc1ccc(Oc2cnn(CC3CCNC3)c2)cc1
InChIInChI=1S/C14H16FN3O/c15-12-1-3-13(4-2-12)19-14-8-17-18(10-14)9-11-5-6-16-7-11/h1-4,8,10-11,16H,5-7,9H2
InChIKeySHXGMGXZVXNYPR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.42
Rot. Bonds4

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

4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 117125081) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID117125081
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESFc1ccc(Oc2cnn(CC3CCNC3)c2)cc1
InChIInChI=1S/C14H16FN3O/c15-12-1-3-13(4-2-12)19-14-8-17-18(10-14)9-11-5-6-16-7-11/h1-4,8,10-11,16H,5-7,9H2
InChIKeySHXGMGXZVXNYPR-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

Analyze 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole (CID 117125081) is 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole is Fc1ccc(Oc2cnn(CC3CCNC3)c2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is SHXGMGXZVXNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-1-3-13(4-2-12)19-14-8-17-18(10-14)9-11-5-6-16-7-11/h1-4,8,10-11,16H,5-7,9H2.
What are the key properties of 4-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole?
4-(4-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-(4-fluorophenoxy)-1-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 117125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).