3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide

C20H24F2N4O2 — CID 167778291

IUPAC3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide
SMILESCC1C(c2ccc(F)c(F)c2)CCN1C(=O)Nc1cc(C2CCCO2)nn1C
InChIInChI=1S/C20H24F2N4O2/c1-12-14(13-5-6-15(21)16(22)10-13)7-8-26(12)20(27)23-19-11-17(24-25(19)2)18-4-3-9-28-18/h5-6,10-12,14,18H,3-4,7-9H2,1-2H3,(H,23,27)
InChIKeyCNDJTFOKKVYIIA-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.96
Rot. Bonds3

About 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide

3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 167778291) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID167778291
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide
SMILESCC1C(c2ccc(F)c(F)c2)CCN1C(=O)Nc1cc(C2CCCO2)nn1C
InChIInChI=1S/C20H24F2N4O2/c1-12-14(13-5-6-15(21)16(22)10-13)7-8-26(12)20(27)23-19-11-17(24-25(19)2)18-4-3-9-28-18/h5-6,10-12,14,18H,3-4,7-9H2,1-2H3,(H,23,27)
InChIKeyCNDJTFOKKVYIIA-UHFFFAOYSA-N
XLogP3.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide 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 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide (CID 167778291) is 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide is CC1C(c2ccc(F)c(F)c2)CCN1C(=O)Nc1cc(C2CCCO2)nn1C.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is CNDJTFOKKVYIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-12-14(13-5-6-15(21)16(22)10-13)7-8-26(12)20(27)23-19-11-17(24-25(19)2)18-4-3-9-28-18/h5-6,10-12,14,18H,3-4,7-9H2,1-2H3,(H,23,27).
What are the key properties of 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide?
3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-methyl-N-[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167778291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).