N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C16H26F3N5O — CID 124863557

IUPACN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCN1CCN(C[C@@H](C)CNC(=O)c2cnn(CC(F)(F)F)c2)CC1
InChIInChI=1S/C16H26F3N5O/c1-3-22-4-6-23(7-5-22)10-13(2)8-20-15(25)14-9-21-24(11-14)12-16(17,18)19/h9,11,13H,3-8,10,12H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeySSGIZHCAWRXNRO-ZDUSSCGKSA-N
MW361.41 g/mol
LogP1.45
Rot. Bonds7

About N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 124863557) has the molecular formula C16H26F3N5O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID124863557
Molecular FormulaC16H26F3N5O
Molecular Weight361.41 g/mol
Exact Mass361.21
IUPAC NameN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCN1CCN(C[C@@H](C)CNC(=O)c2cnn(CC(F)(F)F)c2)CC1
InChIInChI=1S/C16H26F3N5O/c1-3-22-4-6-23(7-5-22)10-13(2)8-20-15(25)14-9-21-24(11-14)12-16(17,18)19/h9,11,13H,3-8,10,12H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeySSGIZHCAWRXNRO-ZDUSSCGKSA-N
XLogP1.45
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
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N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124735355
lithium 1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate
CID 171808216
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
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1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
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1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55878361
1-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(5-fluoro-2-pyridinyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 124863557) is N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCN1CCN(C[C@@H](C)CNC(=O)c2cnn(CC(F)(F)F)c2)CC1.
What is the InChIKey of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is SSGIZHCAWRXNRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26F3N5O/c1-3-22-4-6-23(7-5-22)10-13(2)8-20-15(25)14-9-21-24(11-14)12-16(17,18)19/h9,11,13H,3-8,10,12H2,1-2H3,(H,20,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124863557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).