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

C12H12ClF4N5O — CID 19526106

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C(F)F)cnn1C
InChIInChI=1S/C12H12ClF4N5O/c1-5-6(3-18-21(5)2)19-7(23)4-22-10(12(16)17)8(13)9(20-22)11(14)15/h3,11-12H,4H2,1-2H3,(H,19,23)
InChIKeyMWPCVYKATYCJRO-UHFFFAOYSA-N
MW353.71 g/mol
LogP3.09
Rot. Bonds5

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

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 19526106) has the molecular formula C12H12ClF4N5O and a molecular weight of 353.71 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID19526106
Molecular FormulaC12H12ClF4N5O
Molecular Weight353.71 g/mol
Exact Mass353.07
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C(F)F)cnn1C
InChIInChI=1S/C12H12ClF4N5O/c1-5-6(3-18-21(5)2)19-7(23)4-22-10(12(16)17)8(13)9(20-22)11(14)15/h3,11-12H,4H2,1-2H3,(H,19,23)
InChIKeyMWPCVYKATYCJRO-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (CID 19526106) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C(F)F)cnn1C.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is MWPCVYKATYCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF4N5O/c1-5-6(3-18-21(5)2)19-7(23)4-22-10(12(16)17)8(13)9(20-22)11(14)15/h3,11-12H,4H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 353.71 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 19526106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).