7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H36N4O — CID 142866508

IUPAC7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)C1=CC=CCC2=C1C=CCCC2
InChIInChI=1S/C30H36N4O/c1-4-26(24-18-12-11-14-21-13-7-6-10-17-23(21)24)33-29(35)25-20-31-34-28(25)32-27(19-30(34,2)3)22-15-8-5-9-16-22/h5,8-12,15-18,20,26-27,32H,4,6-7,13-14,19H2,1-3H3,(H,33,35)
InChIKeyKPKHYJFYYOKFRV-UHFFFAOYSA-N
MW468.65 g/mol
LogP6.61
Rot. Bonds5

About 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142866508) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142866508
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)C1=CC=CCC2=C1C=CCCC2
InChIInChI=1S/C30H36N4O/c1-4-26(24-18-12-11-14-21-13-7-6-10-17-23(21)24)33-29(35)25-20-31-34-28(25)32-27(19-30(34,2)3)22-15-8-5-9-16-22/h5,8-12,15-18,20,26-27,32H,4,6-7,13-14,19H2,1-3H3,(H,33,35)
InChIKeyKPKHYJFYYOKFRV-UHFFFAOYSA-N
XLogP6.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-ethylcycloheptyl)ethanone
CID 158109165
7,7-dimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135464340
2-[[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-(4-ethylphenyl)butanoic acid
CID 142462292
3-[1-(2-butan-2-ylpyrrolidin-1-yl)ethenyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine
CID 142866651
(5R)-N-[2-(4-ethylphenyl)-1-(methylamino)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142462296
1-[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3,3-diethylhexan-1-one
CID 147138858
1-[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-ethyl-3-(4-methylphenyl)pentan-1-one
CID 147525312
7,7-dimethyl-5-phenyl-N-[11-[4-(trifluoromethyl)phenyl]-11-bicyclo[4.4.1]undecanyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136631813
1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-[1-(2-hydroxyethyl)cyclohexyl]ethanone
CID 146832105
(5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146417666
(5R)-N-[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146417677
1-(7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-4-methyl-3-(4-methylphenyl)pentan-1-one
CID 159577257

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142866508) is 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(NC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)C)C1=CC=CCC2=C1C=CCCC2.
What is the InChIKey of 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KPKHYJFYYOKFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-4-26(24-18-12-11-14-21-13-7-6-10-17-23(21)24)33-29(35)25-20-31-34-28(25)32-27(19-30(34,2)3)22-15-8-5-9-16-22/h5,8-12,15-18,20,26-27,32H,4,6-7,13-14,19H2,1-3H3,(H,33,35).
What are the key properties of 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 468.65 g/mol, XLogP of 6.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-N-[1-(5,6,7,8-tetrahydroheptalen-1-yl)propyl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142866508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).