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

C11H11F4N5O — CID 19518192

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)n1
InChIInChI=1S/C11H11F4N5O/c1-19-3-2-8(18-19)16-9(21)5-20-7(11(14)15)4-6(17-20)10(12)13/h2-4,10-11H,5H2,1H3,(H,16,18,21)
InChIKeyCVVJVEYUWQZBJF-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.13
Rot. Bonds5

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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 19518192) has the molecular formula C11H11F4N5O and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID19518192
Molecular FormulaC11H11F4N5O
Molecular Weight305.24 g/mol
Exact Mass305.09
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)n1
InChIInChI=1S/C11H11F4N5O/c1-19-3-2-8(18-19)16-9(21)5-20-7(11(14)15)4-6(17-20)10(12)13/h2-4,10-11H,5H2,1H3,(H,16,18,21)
InChIKeyCVVJVEYUWQZBJF-UHFFFAOYSA-N
XLogP2.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
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-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 19518192) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)n1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is CVVJVEYUWQZBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N5O/c1-19-3-2-8(18-19)16-9(21)5-20-7(11(14)15)4-6(17-20)10(12)13/h2-4,10-11H,5H2,1H3,(H,16,18,21).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 305.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 19518192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).