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

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Related Compounds

N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029615
1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030116
1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030178
(1S)-1-(2,4-difluorophenyl)-N-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]propan-1-amine
CID 129490418
1-(oxan-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]methanamine
CID 72104704
N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine
CID 75388154
[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787511
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
CID 121534893
[(2R,4S,5S)-5-(2-fluorophenyl)-1-methyl-4-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-2-yl]methanol
CID 164625669
N-Cyclopropyl-2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzenemethanamine
CID 54980393
4-[4-(4-Fluorophenyl)pyrazol-1-yl]piperidine
CID 58270780
(E)-4-amino-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-[1-(oxan-2-yl)pyrazol-4-yl]but-3-ene-1,1,3-tricarbonitrile
CID 89834835

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).