[4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C20H24F3N5O2 — CID 118526789

IUPAC[4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccccc2N2CCOCC2)CC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)17-13-24-28(15-17)19(29)27-7-5-25(6-8-27)14-16-3-1-2-4-18(16)26-9-11-30-12-10-26/h1-4,13,15H,5-12,14H2
InChIKeyWBKYLLMFCSYUQS-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.52
Rot. Bonds3

About [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone

[4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526789) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526789
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name[4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccccc2N2CCOCC2)CC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)17-13-24-28(15-17)19(29)27-7-5-25(6-8-27)14-16-3-1-2-4-18(16)26-9-11-30-12-10-26/h1-4,13,15H,5-12,14H2
InChIKeyWBKYLLMFCSYUQS-UHFFFAOYSA-N
XLogP2.52
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone with MolForge

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Related Compounds

US10323038, Example 191
CID 135375584
US10323038, Example 198
CID 135375596
US10323038, Example 195
CID 135375597
US10323038, Example 214
CID 135375664
US10323038, Example 61
CID 135375913
US10323038, Example 228
CID 135375915
US10323038, Example 205
CID 135375919
US10323038, Example 68
CID 135375942
US10323038, Example 209
CID 135375983
US10323038, Example 124
CID 135375986
1-(4-(2-morpholino-3-(trifluoromethyl)-benzyl)piperazine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384604
N,N-dimethyl-1-(4-(2-morpholino-4-(trifluoromethyl)-benzyl)-piperazine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384646

Frequently Asked Questions

What is the IUPAC name of [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526789) is [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCN(Cc2ccccc2N2CCOCC2)CC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is WBKYLLMFCSYUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c21-20(22,23)17-13-24-28(15-17)19(29)27-7-5-25(6-8-27)14-16-3-1-2-4-18(16)26-9-11-30-12-10-26/h1-4,13,15H,5-12,14H2.
What are the key properties of [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
[4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 423.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).