6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29BrN4O — CID 92695544

IUPAC6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c(C)c1Cc1cccc(Br)c1
InChIInChI=1S/C24H29BrN4O/c1-14-7-5-10-22(15(14)2)28-24(30)21-13-26-29-17(4)20(16(3)27-23(21)29)12-18-8-6-9-19(25)11-18/h6,8-9,11,13-15,22H,5,7,10,12H2,1-4H3,(H,28,30)/t14-,15-,22-/m1/s1
InChIKeyPNNYGXSUVGKRHA-DOQJBMMISA-N
MW469.43 g/mol
LogP5.25
Rot. Bonds4

About 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 92695544) has the molecular formula C24H29BrN4O and a molecular weight of 469.43 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID92695544
Molecular FormulaC24H29BrN4O
Molecular Weight469.43 g/mol
Exact Mass468.15
IUPAC Name6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c(C)c1Cc1cccc(Br)c1
InChIInChI=1S/C24H29BrN4O/c1-14-7-5-10-22(15(14)2)28-24(30)21-13-26-29-17(4)20(16(3)27-23(21)29)12-18-8-6-9-19(25)11-18/h6,8-9,11,13-15,22H,5,7,10,12H2,1-4H3,(H,28,30)/t14-,15-,22-/m1/s1
InChIKeyPNNYGXSUVGKRHA-DOQJBMMISA-N
XLogP5.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4300024
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 92654730
6-[(3-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4091282
6-benzyl-N-[2-(dimethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479422
N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771163
6-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4109357
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide
CID 112814365
6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3396114
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 51423941

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 92695544) is 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c(C)c1Cc1cccc(Br)c1.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PNNYGXSUVGKRHA-DOQJBMMISA-N. The full InChI is InChI=1S/C24H29BrN4O/c1-14-7-5-10-22(15(14)2)28-24(30)21-13-26-29-17(4)20(16(3)27-23(21)29)12-18-8-6-9-19(25)11-18/h6,8-9,11,13-15,22H,5,7,10,12H2,1-4H3,(H,28,30)/t14-,15-,22-/m1/s1.
What are the key properties of 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 92695544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).