N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide

C16H23F3N4O — CID 75613825

IUPACN-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide
SMILESCN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCNN1
InChIInChI=1S/C16H23F3N4O/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/h3-5,10,14,20-21H,6-9,11H2,1-2H3
InChIKeyHECGQZZKVKCAPP-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide (PubChem CID 75613825) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide
PubChem CID75613825
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide
SMILESCN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCNN1
InChIInChI=1S/C16H23F3N4O/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/h3-5,10,14,20-21H,6-9,11H2,1-2H3
InChIKeyHECGQZZKVKCAPP-UHFFFAOYSA-N
XLogP1.46
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-7-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 126803408
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CID 51097153
3-[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065197
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598768
2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993063
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
4-[[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]butanoic acid
CID 122021394
(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 146122046
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CID 144887966
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598898
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide (CID 75613825) is N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide is CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCNN1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide?
The InChIKey is HECGQZZKVKCAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/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/h3-5,10,14,20-21H,6-9,11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75613825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).