3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide

C15H17ClF2N4O — CID 167770358

IUPAC3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide
SMILESCc1c(NC(Cc2ccc(Cl)cc2)C(N)=O)cnn1CC(F)F
InChIInChI=1S/C15H17ClF2N4O/c1-9-13(7-20-22(9)8-14(17)18)21-12(15(19)23)6-10-2-4-11(16)5-3-10/h2-5,7,12,14,21H,6,8H2,1H3,(H2,19,23)
InChIKeyMFRXLGWPKQMLFD-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.62
Rot. Bonds7

About 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide

3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide (PubChem CID 167770358) has the molecular formula C15H17ClF2N4O and a molecular weight of 342.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide
PubChem CID167770358
Molecular FormulaC15H17ClF2N4O
Molecular Weight342.78 g/mol
Exact Mass342.11
IUPAC Name3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide
SMILESCc1c(NC(Cc2ccc(Cl)cc2)C(N)=O)cnn1CC(F)F
InChIInChI=1S/C15H17ClF2N4O/c1-9-13(7-20-22(9)8-14(17)18)21-12(15(19)23)6-10-2-4-11(16)5-3-10/h2-5,7,12,14,21H,6,8H2,1H3,(H2,19,23)
InChIKeyMFRXLGWPKQMLFD-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide (CID 167770358) is 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide is Cc1c(NC(Cc2ccc(Cl)cc2)C(N)=O)cnn1CC(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide?
The InChIKey is MFRXLGWPKQMLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4O/c1-9-13(7-20-22(9)8-14(17)18)21-12(15(19)23)6-10-2-4-11(16)5-3-10/h2-5,7,12,14,21H,6,8H2,1H3,(H2,19,23).
What are the key properties of 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide?
3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide has a molecular weight of 342.78 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]amino]propanamide is sourced from PubChem (CID 167770358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).