N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide

C22H26F3N5O2 — CID 135375656

IUPACN-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2ccc(C(F)(F)F)cc2)C3)c1
InChIInChI=1S/C22H26F3N5O2/c1-16(31)27(2)19-11-26-30(13-19)20(32)29-9-7-21(8-10-29)14-28(15-21)12-17-3-5-18(6-4-17)22(23,24)25/h3-6,11,13H,7-10,12,14-15H2,1-2H3
InChIKeyMOKYIKXKYTZCRV-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide

N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide (PubChem CID 135375656) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide
PubChem CID135375656
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2ccc(C(F)(F)F)cc2)C3)c1
InChIInChI=1S/C22H26F3N5O2/c1-16(31)27(2)19-11-26-30(13-19)20(32)29-9-7-21(8-10-29)14-28(15-21)12-17-3-5-18(6-4-17)22(23,24)25/h3-6,11,13H,7-10,12,14-15H2,1-2H3
InChIKeyMOKYIKXKYTZCRV-UHFFFAOYSA-N
XLogP3.45
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
US10323038, Example 64
CID 135375499
US10323038, Example 14
CID 135375500
US10323038, Example 191
CID 135375584
US10323038, Example 198
CID 135375596
US10323038, Example 182
CID 135375618
US10323038, Example 58
CID 135375662
US10323038, Example 214
CID 135375664
US10323038, Example 178
CID 135375665
US10323038, Example 180
CID 135375667
US10323038, Example 246
CID 135375696

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide (CID 135375656) is N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2ccc(C(F)(F)F)cc2)C3)c1.
What is the InChIKey of N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
The InChIKey is MOKYIKXKYTZCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-16(31)27(2)19-11-26-30(13-19)20(32)29-9-7-21(8-10-29)14-28(15-21)12-17-3-5-18(6-4-17)22(23,24)25/h3-6,11,13H,7-10,12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide?
N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide has a molecular weight of 449.48 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 135375656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).