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

C14H16FN3O — CID 117125011

IUPAC4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESFc1ccccc1Oc1cnn(CC2CCCN2)c1
InChIInChI=1S/C14H16FN3O/c15-13-5-1-2-6-14(13)19-12-8-17-18(10-12)9-11-4-3-7-16-11/h1-2,5-6,8,10-11,16H,3-4,7,9H2
InChIKeyYSAZYRFJCNWMNS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.57
Rot. Bonds4

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

4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 117125011) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID117125011
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESFc1ccccc1Oc1cnn(CC2CCCN2)c1
InChIInChI=1S/C14H16FN3O/c15-13-5-1-2-6-14(13)19-12-8-17-18(10-12)9-11-4-3-7-16-11/h1-2,5-6,8,10-11,16H,3-4,7,9H2
InChIKeyYSAZYRFJCNWMNS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenoxy)-1-(pyrrolidin-2-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-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 117125011) is 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole is Fc1ccccc1Oc1cnn(CC2CCCN2)c1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is YSAZYRFJCNWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-5-1-2-6-14(13)19-12-8-17-18(10-12)9-11-4-3-7-16-11/h1-2,5-6,8,10-11,16H,3-4,7,9H2.
What are the key properties of 4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole?
4-(2-fluorophenoxy)-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 261.30 g/mol, XLogP of 2.57, 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-2-ylmethyl)pyrazole is sourced from PubChem (CID 117125011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).