N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C15H13F6N3O2 — CID 1261087

IUPACN-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F6N3O2/c1-9-7-12(14(16,17)18)22-24(9)8-13(25)23(2)10-3-5-11(6-4-10)26-15(19,20)21/h3-7H,8H2,1-2H3
InChIKeyXNFBRQWMSQQPCX-UHFFFAOYSA-N
MW381.28 g/mol
LogP3.77
Rot. Bonds4

About N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 1261087) has the molecular formula C15H13F6N3O2 and a molecular weight of 381.28 g/mol. Its IUPAC name is N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID1261087
Molecular FormulaC15H13F6N3O2
Molecular Weight381.28 g/mol
Exact Mass381.09
IUPAC NameN-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F6N3O2/c1-9-7-12(14(16,17)18)22-24(9)8-13(25)23(2)10-3-5-11(6-4-10)26-15(19,20)21/h3-7H,8H2,1-2H3
InChIKeyXNFBRQWMSQQPCX-UHFFFAOYSA-N
XLogP3.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 1261087) is N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XNFBRQWMSQQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O2/c1-9-7-12(14(16,17)18)22-24(9)8-13(25)23(2)10-3-5-11(6-4-10)26-15(19,20)21/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 381.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 1261087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).