N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H16F3N3O — CID 130210328

IUPACN,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)c1cc(C(F)(F)F)nn1CC(=O)N(C)C
InChIInChI=1S/C11H16F3N3O/c1-7(2)8-5-9(11(12,13)14)15-17(8)6-10(18)16(3)4/h5,7H,6H2,1-4H3
InChIKeyFMTBRCXDLNFZFM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.11
Rot. Bonds3

About N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 130210328) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID130210328
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)c1cc(C(F)(F)F)nn1CC(=O)N(C)C
InChIInChI=1S/C11H16F3N3O/c1-7(2)8-5-9(11(12,13)14)15-17(8)6-10(18)16(3)4/h5,7H,6H2,1-4H3
InChIKeyFMTBRCXDLNFZFM-UHFFFAOYSA-N
XLogP2.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 130210328) is N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)c1cc(C(F)(F)F)nn1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FMTBRCXDLNFZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)8-5-9(11(12,13)14)15-17(8)6-10(18)16(3)4/h5,7H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 263.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 130210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).