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

C13H15F4N5O — CID 4773433

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cnn1C
InChIInChI=1S/C13H15F4N5O/c1-7-8(5-19-21(7)2)4-18-11(23)6-22-10(13(16)17)3-9(20-22)12(14)15/h3,5,12-13H,4,6H2,1-2H3,(H,18,23)
InChIKeyYRBHCHVNKKDADZ-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.12
Rot. Bonds6

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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 4773433) has the molecular formula C13H15F4N5O and a molecular weight of 333.29 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID4773433
Molecular FormulaC13H15F4N5O
Molecular Weight333.29 g/mol
Exact Mass333.12
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cnn1C
InChIInChI=1S/C13H15F4N5O/c1-7-8(5-19-21(7)2)4-18-11(23)6-22-10(13(16)17)3-9(20-22)12(14)15/h3,5,12-13H,4,6H2,1-2H3,(H,18,23)
InChIKeyYRBHCHVNKKDADZ-UHFFFAOYSA-N
XLogP2.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.12
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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 4773433) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cnn1C.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is YRBHCHVNKKDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N5O/c1-7-8(5-19-21(7)2)4-18-11(23)6-22-10(13(16)17)3-9(20-22)12(14)15/h3,5,12-13H,4,6H2,1-2H3,(H,18,23).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 333.29 g/mol, XLogP of 2.12, 6 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-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 4773433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).