[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone

C21H21F2N3O — CID 10172510

IUPAC[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCC1
InChIInChI=1S/C21H21F2N3O/c1-21(15-7-3-2-4-8-15)14-19(17-13-16(22)9-10-18(17)23)24-26(21)20(27)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyQHQABJHTOOXEPV-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.51
Rot. Bonds2

About [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone

[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10172510) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID10172510
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCC1
InChIInChI=1S/C21H21F2N3O/c1-21(15-7-3-2-4-8-15)14-19(17-13-16(22)9-10-18(17)23)24-26(21)20(27)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyQHQABJHTOOXEPV-UHFFFAOYSA-N
XLogP4.51
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone (CID 10172510) is [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone is CC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCC1.
What is the InChIKey of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QHQABJHTOOXEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-21(15-7-3-2-4-8-15)14-19(17-13-16(22)9-10-18(17)23)24-26(21)20(27)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3.
What are the key properties of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone?
[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10172510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).