N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine

C33H32F6N4 — CID 136507346

IUPACN-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine
SMILESC=C(NC(CC)(CC)c1cccc(-c2cccc(C(F)(F)F)c2)c1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C33H32F6N4/c1-4-31(5-2,25-15-9-13-23(17-25)24-14-10-16-26(18-24)32(34,35)36)42-21(3)27-20-40-43-29(33(37,38)39)19-28(41-30(27)43)22-11-7-6-8-12-22/h6-18,20,28-29,41-42H,3-5,19H2,1-2H3
InChIKeyDGOKNBMVEVVCGZ-UHFFFAOYSA-N
MW598.64 g/mol
LogP9.51
Rot. Bonds8

About N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine

N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine (PubChem CID 136507346) has the molecular formula C33H32F6N4 and a molecular weight of 598.64 g/mol. Its IUPAC name is N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine
PubChem CID136507346
Molecular FormulaC33H32F6N4
Molecular Weight598.64 g/mol
Exact Mass598.25
IUPAC NameN-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine
SMILESC=C(NC(CC)(CC)c1cccc(-c2cccc(C(F)(F)F)c2)c1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C33H32F6N4/c1-4-31(5-2,25-15-9-13-23(17-25)24-14-10-16-26(18-24)32(34,35)36)42-21(3)27-20-40-43-29(33(37,38)39)19-28(41-30(27)43)22-11-7-6-8-12-22/h6-18,20,28-29,41-42H,3-5,19H2,1-2H3
InChIKeyDGOKNBMVEVVCGZ-UHFFFAOYSA-N
XLogP9.51
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.64
LogP ≤ 59.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine 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-{Dicyclohexyl[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059345
(5S,7R)-N-benzhydryl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136188834
N',N'-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]quinazolin-5-yl]propane-1,3-diamine
CID 136260530
N-[[(5S,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methyl]adamantan-1-amine
CID 136032632
1-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)cyclobutan-1-amine
CID 136196636
1-[(2-methylphenyl)methyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)piperidin-4-amine
CID 136196750
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767593
1-[(2-fluorophenyl)methyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)piperidin-4-amine
CID 136196713
1-[(4-fluorophenyl)methyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)piperidin-4-amine
CID 136196743
5-(Naphthalen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4766759
5-[4-(Propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4766823
5-(4-Fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4767490

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine?
The IUPAC name of N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine (CID 136507346) is N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine.
What is the SMILES notation for N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine?
The canonical SMILES for N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine is C=C(NC(CC)(CC)c1cccc(-c2cccc(C(F)(F)F)c2)c1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F.
What is the InChIKey of N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine?
The InChIKey is DGOKNBMVEVVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F6N4/c1-4-31(5-2,25-15-9-13-23(17-25)24-14-10-16-26(18-24)32(34,35)36)42-21(3)27-20-40-43-29(33(37,38)39)19-28(41-30(27)43)22-11-7-6-8-12-22/h6-18,20,28-29,41-42H,3-5,19H2,1-2H3.
What are the key properties of N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine?
N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine has a molecular weight of 598.64 g/mol, XLogP of 9.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]-3-[3-[3-(trifluoromethyl)phenyl]phenyl]pentan-3-amine is sourced from PubChem (CID 136507346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).