N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

C16H19F3N4O — CID 51097151

IUPACN-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn[nH]1
InChIInChI=1S/C16H19F3N4O/c1-22(2)8-9-23(15(24)14-6-7-20-21-14)11-12-4-3-5-13(10-12)16(17,18)19/h3-7,10H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyJWRKURBTIHQTGD-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 51097151) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID51097151
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn[nH]1
InChIInChI=1S/C16H19F3N4O/c1-22(2)8-9-23(15(24)14-6-7-20-21-14)11-12-4-3-5-13(10-12)16(17,18)19/h3-7,10H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyJWRKURBTIHQTGD-UHFFFAOYSA-N
XLogP2.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide (CID 51097151) is N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide is CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JWRKURBTIHQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-22(2)8-9-23(15(24)14-6-7-20-21-14)11-12-4-3-5-13(10-12)16(17,18)19/h3-7,10H,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51097151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).