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

C11H11ClF3N5O — CID 19520821

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)Cn1ncc(Cl)c1C
InChIInChI=1S/C11H11ClF3N5O/c1-5-9(10(19-18-5)11(13,14)15)17-8(21)4-20-6(2)7(12)3-16-20/h3H,4H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyVIMZNDRAIYWYRD-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.53
Rot. Bonds3

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

2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 19520821) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
PubChem CID19520821
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)Cn1ncc(Cl)c1C
InChIInChI=1S/C11H11ClF3N5O/c1-5-9(10(19-18-5)11(13,14)15)17-8(21)4-20-6(2)7(12)3-16-20/h3H,4H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyVIMZNDRAIYWYRD-UHFFFAOYSA-N
XLogP2.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide (CID 19520821) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)Cn1ncc(Cl)c1C.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is VIMZNDRAIYWYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-5-9(10(19-18-5)11(13,14)15)17-8(21)4-20-6(2)7(12)3-16-20/h3H,4H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 321.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 19520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).