N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane

C15H18F3N3O — CID 143534021

IUPACN,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
SMILESCC.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C13H12F3N3O.C2H6/c1-19(2)12(20)9-5-3-4-8(6-9)10-7-11(18-17-10)13(14,15)16;1-2/h3-7H,1-2H3,(H,17,18);1-2H3
InChIKeyIYGURCBPVLORKQ-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.82
Rot. Bonds2

About N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane

N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane (PubChem CID 143534021) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
PubChem CID143534021
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
SMILESCC.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C13H12F3N3O.C2H6/c1-19(2)12(20)9-5-3-4-8(6-9)10-7-11(18-17-10)13(14,15)16;1-2/h3-7H,1-2H3,(H,17,18);1-2H3
InChIKeyIYGURCBPVLORKQ-UHFFFAOYSA-N
XLogP3.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane?
The IUPAC name of N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane (CID 143534021) is N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane.
What is the SMILES notation for N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane?
The canonical SMILES for N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane is CC.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane?
The InChIKey is IYGURCBPVLORKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O.C2H6/c1-19(2)12(20)9-5-3-4-8(6-9)10-7-11(18-17-10)13(14,15)16;1-2/h3-7H,1-2H3,(H,17,18);1-2H3.
What are the key properties of N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane?
N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane has a molecular weight of 313.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane is sourced from PubChem (CID 143534021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).