N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C26H28F3N5O2 — CID 158108015

IUPACN-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1ncc2c(n1)CCC(C(=O)CCCNC(=O)c1cn(-c3ccccc3)nc1C(F)(F)F)C2
InChIInChI=1S/C26H28F3N5O2/c1-16(2)24-31-14-18-13-17(10-11-21(18)32-24)22(35)9-6-12-30-25(36)20-15-34(19-7-4-3-5-8-19)33-23(20)26(27,28)29/h3-5,7-8,14-17H,6,9-13H2,1-2H3,(H,30,36)
InChIKeySQZKUFUVIGSQBW-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.69
Rot. Bonds8

About N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 158108015) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID158108015
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC NameN-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1ncc2c(n1)CCC(C(=O)CCCNC(=O)c1cn(-c3ccccc3)nc1C(F)(F)F)C2
InChIInChI=1S/C26H28F3N5O2/c1-16(2)24-31-14-18-13-17(10-11-21(18)32-24)22(35)9-6-12-30-25(36)20-15-34(19-7-4-3-5-8-19)33-23(20)26(27,28)29/h3-5,7-8,14-17H,6,9-13H2,1-2H3,(H,30,36)
InChIKeySQZKUFUVIGSQBW-UHFFFAOYSA-N
XLogP4.69
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 66686827
N-[4-oxo-4-(2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 149355734
N-[4-oxo-4-(2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158343959
N-[4-oxo-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158906916
N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159284157
N-[4-oxo-4-[4-(2-phenyl-1,3-oxazol-5-yl)cyclohexyl]butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159850667
1-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 66687143
N-[4-oxo-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]pentyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 160681383
N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159284156
N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate
CID 159905235
N-[4-oxo-4-(4-propylsulfonylpiperidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158858702
N-ethyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71131088

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 158108015) is N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)c1ncc2c(n1)CCC(C(=O)CCCNC(=O)c1cn(-c3ccccc3)nc1C(F)(F)F)C2.
What is the InChIKey of N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SQZKUFUVIGSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-16(2)24-31-14-18-13-17(10-11-21(18)32-24)22(35)9-6-12-30-25(36)20-15-34(19-7-4-3-5-8-19)33-23(20)26(27,28)29/h3-5,7-8,14-17H,6,9-13H2,1-2H3,(H,30,36).
What are the key properties of N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158108015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).