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

C30H38F2N4 — CID 142866475

IUPAC3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine
SMILESC=C(NC(CC)(CC)c1ccc(C(C)(F)F)cc1)c1cnn2c1NC(c1ccccc1C)CC2(C)C
InChIInChI=1S/C30H38F2N4/c1-8-30(9-2,23-16-14-22(15-17-23)29(7,31)32)35-21(4)25-19-33-36-27(25)34-26(18-28(36,5)6)24-13-11-10-12-20(24)3/h10-17,19,26,34-35H,4,8-9,18H2,1-3,5-7H3
InChIKeyYJMVIRYPPIZOFO-UHFFFAOYSA-N
MW492.66 g/mol
LogP7.87
Rot. Bonds8

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

3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine (PubChem CID 142866475) has the molecular formula C30H38F2N4 and a molecular weight of 492.66 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine
PubChem CID142866475
Molecular FormulaC30H38F2N4
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine
SMILESC=C(NC(CC)(CC)c1ccc(C(C)(F)F)cc1)c1cnn2c1NC(c1ccccc1C)CC2(C)C
InChIInChI=1S/C30H38F2N4/c1-8-30(9-2,23-16-14-22(15-17-23)29(7,31)32)35-21(4)25-19-33-36-27(25)34-26(18-28(36,5)6)24-13-11-10-12-20(24)3/h10-17,19,26,34-35H,4,8-9,18H2,1-3,5-7H3
InChIKeyYJMVIRYPPIZOFO-UHFFFAOYSA-N
XLogP7.87
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]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-(1-ethyl-1-(4-methylphenyl)propyl)-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 135464340
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
N-{Dicyclohexyl[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059345
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
Pyrazolo[1,5-a]pyrimidine-3-carboxamide,(5R)-N-[1-ethyl-1-(4-methylphenyl)propyl]-4,5,6,7-tetrahydro-7,7-dimethyl-5-phenyl-hydrochloride
CID 136059369

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine?
The IUPAC name of 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine (CID 142866475) is 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine.
What is the SMILES notation for 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine?
The canonical SMILES for 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine is C=C(NC(CC)(CC)c1ccc(C(C)(F)F)cc1)c1cnn2c1NC(c1ccccc1C)CC2(C)C.
What is the InChIKey of 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine?
The InChIKey is YJMVIRYPPIZOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N4/c1-8-30(9-2,23-16-14-22(15-17-23)29(7,31)32)35-21(4)25-19-33-36-27(25)34-26(18-28(36,5)6)24-13-11-10-12-20(24)3/h10-17,19,26,34-35H,4,8-9,18H2,1-3,5-7H3.
What are the key properties of 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine?
3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine has a molecular weight of 492.66 g/mol, XLogP of 7.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethyl)phenyl]-N-[1-[7,7-dimethyl-5-(2-methylphenyl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]ethenyl]pentan-3-amine is sourced from PubChem (CID 142866475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).