N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine

C25H32F4N4 — CID 142866777

IUPACN-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine
SMILESC=C(NC1(C(F)(F)C(C)(F)F)CCCCC1)c1cnn2c1NC(c1ccccc1)CC2(C)C
InChIInChI=1S/C25H32F4N4/c1-17(32-24(13-9-6-10-14-24)25(28,29)23(4,26)27)19-16-30-33-21(19)31-20(15-22(33,2)3)18-11-7-5-8-12-18/h5,7-8,11-12,16,20,31-32H,1,6,9-10,13-15H2,2-4H3
InChIKeyXAUWAZLQIUFAAE-UHFFFAOYSA-N
MW464.55 g/mol
LogP6.73
Rot. Bonds6

About N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine

N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine (PubChem CID 142866777) has the molecular formula C25H32F4N4 and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine
PubChem CID142866777
Molecular FormulaC25H32F4N4
Molecular Weight464.55 g/mol
Exact Mass464.26
IUPAC NameN-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine
SMILESC=C(NC1(C(F)(F)C(C)(F)F)CCCCC1)c1cnn2c1NC(c1ccccc1)CC2(C)C
InChIInChI=1S/C25H32F4N4/c1-17(32-24(13-9-6-10-14-24)25(28,29)23(4,26)27)19-16-30-33-21(19)31-20(15-22(33,2)3)18-11-7-5-8-12-18/h5,7-8,11-12,16,20,31-32H,1,6,9-10,13-15H2,2-4H3
InChIKeyXAUWAZLQIUFAAE-UHFFFAOYSA-N
XLogP6.73
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine with MolForge

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Related Compounds

7,7-Dimethyl-N-{1-methyl-1-[4-(trifluoromethyl)phenyl]ethyl}-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136030614
N-[3-(2-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136030746
N-{1-Ethyl-1-[4-(trifluoromethyl)phenyl]propyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059340
7,7-Dimethyl-5-phenyl-N-{1-propyl-1-[4-(trifluoromethyl)phenyl]-butyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059341
N-{1-Butyl-1-[4-(trifluoromethyl)phenyl]pentyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059342
N-{1-Isopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059343
7,7-dimethyl-5-phenyl-N-(3-phenylpentan-3-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059346
N-[3-(4-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059348
N-[3-(3-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059356
N-(tert-butyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2883919
(5R,7S)-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136234639
N',N'-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]quinazolin-5-yl]propane-1,3-diamine
CID 136260530

Frequently Asked Questions

What is the IUPAC name of N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine (CID 142866777) is N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine is C=C(NC1(C(F)(F)C(C)(F)F)CCCCC1)c1cnn2c1NC(c1ccccc1)CC2(C)C.
What is the InChIKey of N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine?
The InChIKey is XAUWAZLQIUFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F4N4/c1-17(32-24(13-9-6-10-14-24)25(28,29)23(4,26)27)19-16-30-33-21(19)31-20(15-22(33,2)3)18-11-7-5-8-12-18/h5,7-8,11-12,16,20,31-32H,1,6,9-10,13-15H2,2-4H3.
What are the key properties of N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine?
N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine has a molecular weight of 464.55 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]-1-(1,1,2,2-tetrafluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 142866777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).