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

C11H13F2N5O — CID 19516679

IUPAC2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2ccn(C)n2)n1
InChIInChI=1S/C11H13F2N5O/c1-7-5-8(11(12)13)18(15-7)6-10(19)14-9-3-4-17(2)16-9/h3-5,11H,6H2,1-2H3,(H,14,16,19)
InChIKeyKWZMZBIILCJLKQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.50
Rot. Bonds4

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

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 19516679) has the molecular formula C11H13F2N5O and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID19516679
Molecular FormulaC11H13F2N5O
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2ccn(C)n2)n1
InChIInChI=1S/C11H13F2N5O/c1-7-5-8(11(12)13)18(15-7)6-10(19)14-9-3-4-17(2)16-9/h3-5,11H,6H2,1-2H3,(H,14,16,19)
InChIKeyKWZMZBIILCJLKQ-UHFFFAOYSA-N
XLogP1.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 19516679) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cc1cc(C(F)F)n(CC(=O)Nc2ccn(C)n2)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is KWZMZBIILCJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c1-7-5-8(11(12)13)18(15-7)6-10(19)14-9-3-4-17(2)16-9/h3-5,11H,6H2,1-2H3,(H,14,16,19).
What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 19516679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).