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

C13H15ClF3N5O — CID 19579656

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1C
InChIInChI=1S/C13H15ClF3N5O/c1-7-9(5-19-21(7)3)4-18-10(23)6-22-8(2)11(14)12(20-22)13(15,16)17/h5H,4,6H2,1-3H3,(H,18,23)
InChIKeyAGKKFMPNEAKZCX-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.22
Rot. Bonds4

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 19579656) has the molecular formula C13H15ClF3N5O and a molecular weight of 349.74 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID19579656
Molecular FormulaC13H15ClF3N5O
Molecular Weight349.74 g/mol
Exact Mass349.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1C
InChIInChI=1S/C13H15ClF3N5O/c1-7-9(5-19-21(7)3)4-18-10(23)6-22-8(2)11(14)12(20-22)13(15,16)17/h5H,4,6H2,1-3H3,(H,18,23)
InChIKeyAGKKFMPNEAKZCX-UHFFFAOYSA-N
XLogP2.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 19579656) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is AGKKFMPNEAKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N5O/c1-7-9(5-19-21(7)3)4-18-10(23)6-22-8(2)11(14)12(20-22)13(15,16)17/h5H,4,6H2,1-3H3,(H,18,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 349.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19579656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).