N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

C22H26F3N5O2 — CID 142483168

IUPACN-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)CC2)n1
InChIInChI=1S/C22H26F3N5O2/c1-16(31)26-19-5-9-30(27-19)20(32)29-11-7-21(8-12-29)6-10-28(15-21)14-17-3-2-4-18(13-17)22(23,24)25/h2-5,9,13H,6-8,10-12,14-15H2,1H3,(H,26,27,31)
InChIKeyCVPGCTSVMGLQGC-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.82
Rot. Bonds3

About N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 142483168) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
PubChem CID142483168
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)CC2)n1
InChIInChI=1S/C22H26F3N5O2/c1-16(31)26-19-5-9-30(27-19)20(32)29-11-7-21(8-12-29)6-10-28(15-21)14-17-3-2-4-18(13-17)22(23,24)25/h2-5,9,13H,6-8,10-12,14-15H2,1H3,(H,26,27,31)
InChIKeyCVPGCTSVMGLQGC-UHFFFAOYSA-N
XLogP3.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide with MolForge

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Related Compounds

3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 6208824
US9763922, Example 112
CID 121373014
US9763922, Example 114
CID 121373018
US9763922, Example 108
CID 121373019
US9763922, Example 174
CID 121373035
1-(3-((3-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(2,2,2-trifluoroethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121373232
US9763922, Example 84
CID 121373235
US9763922, Example 172
CID 121373435
US11149037, Example 25
CID 135387688
US11149037, Example 23
CID 135388433
US9763922, Example 35
CID 138805951

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (CID 142483168) is N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C(F)(F)F)c4)C3)CC2)n1.
What is the InChIKey of N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is CVPGCTSVMGLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-16(31)26-19-5-9-30(27-19)20(32)29-11-7-21(8-12-29)6-10-28(15-21)14-17-3-2-4-18(13-17)22(23,24)25/h2-5,9,13H,6-8,10-12,14-15H2,1H3,(H,26,27,31).
What are the key properties of N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 449.48 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 142483168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).