2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide

C13H17F2N5O — CID 110226389

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCc1nccn1C
InChIInChI=1S/C13H17F2N5O/c1-8-6-10(12(14)15)18-20(8)9(2)13(21)17-7-11-16-4-5-19(11)3/h4-6,9,12H,7H2,1-3H3,(H,17,21)
InChIKeyLMXSYOHQIRFQLZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.74
Rot. Bonds5

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 110226389) has the molecular formula C13H17F2N5O and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID110226389
Molecular FormulaC13H17F2N5O
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCc1nccn1C
InChIInChI=1S/C13H17F2N5O/c1-8-6-10(12(14)15)18-20(8)9(2)13(21)17-7-11-16-4-5-19(11)3/h4-6,9,12H,7H2,1-3H3,(H,17,21)
InChIKeyLMXSYOHQIRFQLZ-UHFFFAOYSA-N
XLogP1.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 110226389) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide is Cc1cc(C(F)F)nn1C(C)C(=O)NCc1nccn1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is LMXSYOHQIRFQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O/c1-8-6-10(12(14)15)18-20(8)9(2)13(21)17-7-11-16-4-5-19(11)3/h4-6,9,12H,7H2,1-3H3,(H,17,21).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 297.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110226389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).