2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide

C14H17F4N5O — CID 19518049

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)c(C)n1
InChIInChI=1S/C14H17F4N5O/c1-3-22-6-9(8(2)20-22)5-19-12(24)7-23-11(14(17)18)4-10(21-23)13(15)16/h4,6,13-14H,3,5,7H2,1-2H3,(H,19,24)
InChIKeyPFEQPIVMSQGQRS-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.60
Rot. Bonds7

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19518049) has the molecular formula C14H17F4N5O and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19518049
Molecular FormulaC14H17F4N5O
Molecular Weight347.32 g/mol
Exact Mass347.14
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)c(C)n1
InChIInChI=1S/C14H17F4N5O/c1-3-22-6-9(8(2)20-22)5-19-12(24)7-23-11(14(17)18)4-10(21-23)13(15)16/h4,6,13-14H,3,5,7H2,1-2H3,(H,19,24)
InChIKeyPFEQPIVMSQGQRS-UHFFFAOYSA-N
XLogP2.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.60
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-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide (CID 19518049) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide is CCn1cc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)c(C)n1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is PFEQPIVMSQGQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N5O/c1-3-22-6-9(8(2)20-22)5-19-12(24)7-23-11(14(17)18)4-10(21-23)13(15)16/h4,6,13-14H,3,5,7H2,1-2H3,(H,19,24).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 347.32 g/mol, XLogP of 2.60, 7 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-ethyl-3-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19518049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).