N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H21F3N4O2 — CID 86853165

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cn(C)nc1C(F)(F)F)c1ccco1
InChIInChI=1S/C16H21F3N4O2/c1-4-23(5-2)12(13-7-6-8-25-13)9-20-15(24)11-10-22(3)21-14(11)16(17,18)19/h6-8,10,12H,4-5,9H2,1-3H3,(H,20,24)
InChIKeyVDGPTNSNSNPNSQ-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 86853165) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID86853165
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cn(C)nc1C(F)(F)F)c1ccco1
InChIInChI=1S/C16H21F3N4O2/c1-4-23(5-2)12(13-7-6-8-25-13)9-20-15(24)11-10-22(3)21-14(11)16(17,18)19/h6-8,10,12H,4-5,9H2,1-3H3,(H,20,24)
InChIKeyVDGPTNSNSNPNSQ-UHFFFAOYSA-N
XLogP2.84
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008611
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125178998
N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008828
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008766
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
CID 94813161
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 75431996
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47082097
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901
N-[(5-ethylthiophen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008846
4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47082113

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 86853165) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CC)C(CNC(=O)c1cn(C)nc1C(F)(F)F)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VDGPTNSNSNPNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-4-23(5-2)12(13-7-6-8-25-13)9-20-15(24)11-10-22(3)21-14(11)16(17,18)19/h6-8,10,12H,4-5,9H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86853165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).