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

C15H19ClF3N5O — CID 4769507

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H19ClF3N5O/c1-8-11(9(2)23(5)20-8)6-22(4)12(25)7-24-10(3)13(16)14(21-24)15(17,18)19/h6-7H2,1-5H3
InChIKeyBEVGUZXEJVJIOF-UHFFFAOYSA-N
MW377.80 g/mol
LogP2.87
Rot. Bonds4

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 4769507) has the molecular formula C15H19ClF3N5O and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID4769507
Molecular FormulaC15H19ClF3N5O
Molecular Weight377.80 g/mol
Exact Mass377.12
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H19ClF3N5O/c1-8-11(9(2)23(5)20-8)6-22(4)12(25)7-24-10(3)13(16)14(21-24)15(17,18)19/h6-7H2,1-5H3
InChIKeyBEVGUZXEJVJIOF-UHFFFAOYSA-N
XLogP2.87
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
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-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 4769507) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is BEVGUZXEJVJIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N5O/c1-8-11(9(2)23(5)20-8)6-22(4)12(25)7-24-10(3)13(16)14(21-24)15(17,18)19/h6-7H2,1-5H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 377.80 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 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-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 4769507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).