N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

C23H28F3N5O2 — CID 135332045

IUPACN-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)c(C)c3)CC2)n1
InChIInChI=1S/C23H28F3N5O2/c1-16-14-18(4-5-19(16)23(24,25)26)15-30-10-3-7-22(30)8-12-29(13-9-22)21(33)31-11-6-20(28-31)27-17(2)32/h4-6,11,14H,3,7-10,12-13,15H2,1-2H3,(H,27,28,32)
InChIKeyBBFRIRRKHMYVHM-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.27
Rot. Bonds3

About N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide

N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 135332045) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
PubChem CID135332045
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC NameN-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)c(C)c3)CC2)n1
InChIInChI=1S/C23H28F3N5O2/c1-16-14-18(4-5-19(16)23(24,25)26)15-30-10-3-7-22(30)8-12-29(13-9-22)21(33)31-11-6-20(28-31)27-17(2)32/h4-6,11,14H,3,7-10,12-13,15H2,1-2H3,(H,27,28,32)
InChIKeyBBFRIRRKHMYVHM-UHFFFAOYSA-N
XLogP4.27
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide (CID 135332045) is N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)c(C)c3)CC2)n1.
What is the InChIKey of N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is BBFRIRRKHMYVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-16-14-18(4-5-19(16)23(24,25)26)15-30-10-3-7-22(30)8-12-29(13-9-22)21(33)31-11-6-20(28-31)27-17(2)32/h4-6,11,14H,3,7-10,12-13,15H2,1-2H3,(H,27,28,32).
What are the key properties of N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 463.50 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 135332045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).