6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23N5O2 — CID 56718006

IUPAC6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)Nc3cccc4cc(C)oc34)cnn2c1
InChIInChI=1S/C21H23N5O2/c1-4-25(5-2)12-15-10-22-20-17(11-23-26(20)13-15)21(27)24-18-8-6-7-16-9-14(3)28-19(16)18/h6-11,13H,4-5,12H2,1-3H3,(H,24,27)
InChIKeyRRFGCTKFHWYSNO-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.88
Rot. Bonds6

About 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56718006) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56718006
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)Nc3cccc4cc(C)oc34)cnn2c1
InChIInChI=1S/C21H23N5O2/c1-4-25(5-2)12-15-10-22-20-17(11-23-26(20)13-15)21(27)24-18-8-6-7-16-9-14(3)28-19(16)18/h6-11,13H,4-5,12H2,1-3H3,(H,24,27)
InChIKeyRRFGCTKFHWYSNO-UHFFFAOYSA-N
XLogP3.88
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylaminomethyl)-N-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56717535
6-(diethylaminomethyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56756831
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
6-(diethylaminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95228728
6-(diethylaminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56703054
6-(diethylaminomethyl)-N-(1-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758821
6-(diethylaminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738525
6-(diethylaminomethyl)-N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56700485
6-(diethylaminomethyl)-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56744281
6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56710203
6-(diethylaminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56760299
6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56751881

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56718006) is 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)Nc3cccc4cc(C)oc34)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RRFGCTKFHWYSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-25(5-2)12-15-10-22-20-17(11-23-26(20)13-15)21(27)24-18-8-6-7-16-9-14(3)28-19(16)18/h6-11,13H,4-5,12H2,1-3H3,(H,24,27).
What are the key properties of 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2-methyl-1-benzofuran-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56718006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).