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

C22H22N4O2 — CID 3244271

IUPACN-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1Cc1c(C)nc2c(C(=O)NCc3ccco3)cnn2c1C
InChIInChI=1S/C22H22N4O2/c1-14-7-4-5-8-17(14)11-19-15(2)25-21-20(13-24-26(21)16(19)3)22(27)23-12-18-9-6-10-28-18/h4-10,13H,11-12H2,1-3H3,(H,23,27)
InChIKeyGAHQFNDOSBCDJM-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.77
Rot. Bonds5

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

N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3244271) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3244271
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1Cc1c(C)nc2c(C(=O)NCc3ccco3)cnn2c1C
InChIInChI=1S/C22H22N4O2/c1-14-7-4-5-8-17(14)11-19-15(2)25-21-20(13-24-26(21)16(19)3)22(27)23-12-18-9-6-10-28-18/h4-10,13H,11-12H2,1-3H3,(H,23,27)
InChIKeyGAHQFNDOSBCDJM-UHFFFAOYSA-N
XLogP3.77
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.77
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-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3244271) is N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccccc1Cc1c(C)nc2c(C(=O)NCc3ccco3)cnn2c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GAHQFNDOSBCDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-7-4-5-8-17(14)11-19-15(2)25-21-20(13-24-26(21)16(19)3)22(27)23-12-18-9-6-10-28-18/h4-10,13H,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(furan-2-ylmethyl)-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.77, 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-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3244271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).