N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26N4O2 — CID 5103720

IUPACN-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c(C)c1
InChIInChI=1S/C24H26N4O2/c1-14-9-15(2)20(16(3)10-14)11-21-17(4)27-23-22(13-26-28(23)18(21)5)24(29)25-12-19-7-6-8-30-19/h6-10,13H,11-12H2,1-5H3,(H,25,29)
InChIKeyAQIYGSAXYBBKKP-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.39
Rot. Bonds5

About N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5103720) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5103720
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c(C)c1
InChIInChI=1S/C24H26N4O2/c1-14-9-15(2)20(16(3)10-14)11-21-17(4)27-23-22(13-26-28(23)18(21)5)24(29)25-12-19-7-6-8-30-19/h6-10,13H,11-12H2,1-5H3,(H,25,29)
InChIKeyAQIYGSAXYBBKKP-UHFFFAOYSA-N
XLogP4.39
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5103720) is N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AQIYGSAXYBBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-14-9-15(2)20(16(3)10-14)11-21-17(4)27-23-22(13-26-28(23)18(21)5)24(29)25-12-19-7-6-8-30-19/h6-10,13H,11-12H2,1-5H3,(H,25,29).
What are the key properties of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5103720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).