4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole

C18H21F2N3O — CID 175453147

IUPAC4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole
SMILESFc1c(-c2cnn(C3CCCCO3)c2)ccc(C2CCCN2)c1F
InChIInChI=1S/C18H21F2N3O/c19-17-13(6-7-14(18(17)20)15-4-3-8-21-15)12-10-22-23(11-12)16-5-1-2-9-24-16/h6-7,10-11,15-16,21H,1-5,8-9H2
InChIKeyFSWNKCQGEOFVNG-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.95
Rot. Bonds3

About 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole

4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole (PubChem CID 175453147) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole
PubChem CID175453147
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole
SMILESFc1c(-c2cnn(C3CCCCO3)c2)ccc(C2CCCN2)c1F
InChIInChI=1S/C18H21F2N3O/c19-17-13(6-7-14(18(17)20)15-4-3-8-21-15)12-10-22-23(11-12)16-5-1-2-9-24-16/h6-7,10-11,15-16,21H,1-5,8-9H2
InChIKeyFSWNKCQGEOFVNG-UHFFFAOYSA-N
XLogP3.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)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-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole (CID 175453147) is 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole is Fc1c(-c2cnn(C3CCCCO3)c2)ccc(C2CCCN2)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole?
The InChIKey is FSWNKCQGEOFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c19-17-13(6-7-14(18(17)20)15-4-3-8-21-15)12-10-22-23(11-12)16-5-1-2-9-24-16/h6-7,10-11,15-16,21H,1-5,8-9H2.
What are the key properties of 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole?
4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole has a molecular weight of 333.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-4-pyrrolidin-2-ylphenyl)-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 175453147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).