7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H32N4O — CID 136507282

IUPAC7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CC(c2ccccc2)Nc2c(C(=O)NC3C4CCCC5CC3CC5C4)cnn21
InChIInChI=1S/C25H32N4O/c1-15-10-22(16-6-3-2-4-7-16)27-24-21(14-26-29(15)24)25(30)28-23-18-9-5-8-17-11-20(23)13-19(17)12-18/h2-4,6-7,14-15,17-20,22-23,27H,5,8-13H2,1H3,(H,28,30)
InChIKeyBLCCJJNULGRWDW-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.95
Rot. Bonds3

About 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136507282) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136507282
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CC(c2ccccc2)Nc2c(C(=O)NC3C4CCCC5CC3CC5C4)cnn21
InChIInChI=1S/C25H32N4O/c1-15-10-22(16-6-3-2-4-7-16)27-24-21(14-26-29(15)24)25(30)28-23-18-9-5-8-17-11-20(23)13-19(17)12-18/h2-4,6-7,14-15,17-20,22-23,27H,5,8-13H2,1H3,(H,28,30)
InChIKeyBLCCJJNULGRWDW-UHFFFAOYSA-N
XLogP4.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
CID 142866514
(5R,7R)-5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135567080
ethane;N'-ethyl-7-methyl-5-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 142866599
(5R,7R)-5-phenyl-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1126936
N-benzhydryl-7-methyl-5-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane
CID 142866759
(5S,7R)-N-[3-[(1R)-1-hydroxyethyl]phenyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136695516
5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 648708
(7S)-N-[(5-methylpyrazin-2-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136507363
(5R,7S)-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135878976
propan-2-yl 2-[[(5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 136718726
(7R)-N-[2-(4-tert-butylphenyl)ethyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136507359
1-[[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(2-methylphenyl)thiourea
CID 135568028

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136507282) is 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CC(c2ccccc2)Nc2c(C(=O)NC3C4CCCC5CC3CC5C4)cnn21.
What is the InChIKey of 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLCCJJNULGRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-15-10-22(16-6-3-2-4-7-16)27-24-21(14-26-29(15)24)25(30)28-23-18-9-5-8-17-11-20(23)13-19(17)12-18/h2-4,6-7,14-15,17-20,22-23,27H,5,8-13H2,1H3,(H,28,30).
What are the key properties of 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-N-(11-tricyclo[5.3.1.03,9]undecanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136507282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).