(2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide

C16H24F3N5O2 — CID 124939671

IUPAC(2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C
InChIInChI=1S/C16H24F3N5O2/c1-10(2)23-6-5-22(8-12(23)15(26)20-4)14(25)9-24-11(3)7-13(21-24)16(17,18)19/h7,10,12H,5-6,8-9H2,1-4H3,(H,20,26)/t12-/m0/s1
InChIKeyABBPLIMIDYXVFS-LBPRGKRZSA-N
MW375.40 g/mol
LogP0.88
Rot. Bonds4

About (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide

(2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 124939671) has the molecular formula C16H24F3N5O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID124939671
Molecular FormulaC16H24F3N5O2
Molecular Weight375.40 g/mol
Exact Mass375.19
IUPAC Name(2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C
InChIInChI=1S/C16H24F3N5O2/c1-10(2)23-6-5-22(8-12(23)15(26)20-4)14(25)9-24-11(3)7-13(21-24)16(17,18)19/h7,10,12H,5-6,8-9H2,1-4H3,(H,20,26)/t12-/m0/s1
InChIKeyABBPLIMIDYXVFS-LBPRGKRZSA-N
XLogP0.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 110086165
N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxamide
CID 156611269
1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carbothioamide;sulfane
CID 87569282
1-(3,3-dioxo-3λ6-thia-9-azaspiro[5.5]undecan-9-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 154836515
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 142843300
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
CID 110246529
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 136543370
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(3H-1,2-thiazol-2-yl)piperazin-1-yl]ethanone
CID 141162013
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-3-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 66911475
1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 19531297
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 35293166

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide (CID 124939671) is (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCN1C(C)C.
What is the InChIKey of (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is ABBPLIMIDYXVFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24F3N5O2/c1-10(2)23-6-5-22(8-12(23)15(26)20-4)14(25)9-24-11(3)7-13(21-24)16(17,18)19/h7,10,12H,5-6,8-9H2,1-4H3,(H,20,26)/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
(2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 124939671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).