N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide

C25H32F3N5O2 — CID 162651011

IUPACN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(-n2ncc(-c3nc(C)no3)c2C(F)(F)F)cc1
InChIInChI=1S/C25H32F3N5O2/c1-3-4-5-6-7-8-9-10-11-12-22(34)31-19-13-15-20(16-14-19)33-23(25(26,27)28)21(17-29-33)24-30-18(2)32-35-24/h13-17H,3-12H2,1-2H3,(H,31,34)
InChIKeyYZZCGGOZQZGQRB-UHFFFAOYSA-N
MW491.56 g/mol
LogP7.11
Rot. Bonds13

About N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide

N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide (PubChem CID 162651011) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide.

Molecular Properties

Compound NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide
PubChem CID162651011
Molecular FormulaC25H32F3N5O2
Molecular Weight491.56 g/mol
Exact Mass491.25
IUPAC NameN-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(-n2ncc(-c3nc(C)no3)c2C(F)(F)F)cc1
InChIInChI=1S/C25H32F3N5O2/c1-3-4-5-6-7-8-9-10-11-12-22(34)31-19-13-15-20(16-14-19)33-23(25(26,27)28)21(17-29-33)24-30-18(2)32-35-24/h13-17H,3-12H2,1-2H3,(H,31,34)
InChIKeyYZZCGGOZQZGQRB-UHFFFAOYSA-N
XLogP7.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide?
The IUPAC name of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide (CID 162651011) is N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide.
What is the SMILES notation for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide?
The canonical SMILES for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(-n2ncc(-c3nc(C)no3)c2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide?
The InChIKey is YZZCGGOZQZGQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-3-4-5-6-7-8-9-10-11-12-22(34)31-19-13-15-20(16-14-19)33-23(25(26,27)28)21(17-29-33)24-30-18(2)32-35-24/h13-17H,3-12H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide?
N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide has a molecular weight of 491.56 g/mol, XLogP of 7.11, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyrazol-1-yl]phenyl]dodecanamide is sourced from PubChem (CID 162651011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).