2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

C14H19F2N5O — CID 56869396

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C(F)F)cc1C)c1ccnn1C
InChIInChI=1S/C14H19F2N5O/c1-4-10(12-5-6-17-20(12)3)18-13(22)8-21-9(2)7-11(19-21)14(15)16/h5-7,10,14H,4,8H2,1-3H3,(H,18,22)
InChIKeyIZXSBBHLJVATEZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.13
Rot. Bonds6

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 56869396) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID56869396
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nc(C(F)F)cc1C)c1ccnn1C
InChIInChI=1S/C14H19F2N5O/c1-4-10(12-5-6-17-20(12)3)18-13(22)8-21-9(2)7-11(19-21)14(15)16/h5-7,10,14H,4,8H2,1-3H3,(H,18,22)
InChIKeyIZXSBBHLJVATEZ-UHFFFAOYSA-N
XLogP2.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.13
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-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 56869396) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)Cn1nc(C(F)F)cc1C)c1ccnn1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is IZXSBBHLJVATEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-4-10(12-5-6-17-20(12)3)18-13(22)8-21-9(2)7-11(19-21)14(15)16/h5-7,10,14H,4,8H2,1-3H3,(H,18,22).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.13, 6 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-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 56869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).