6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19ClN4O2 — CID 4109532

IUPAC6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C21H19ClN4O2/c1-13-18(10-15-5-3-6-16(22)9-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-7-4-8-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27)
InChIKeyNGBMGLIEKOFXLA-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.11
Rot. Bonds5

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

6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4109532) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4109532
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C21H19ClN4O2/c1-13-18(10-15-5-3-6-16(22)9-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-7-4-8-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27)
InChIKeyNGBMGLIEKOFXLA-UHFFFAOYSA-N
XLogP4.11
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4109532) is 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NGBMGLIEKOFXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-18(10-15-5-3-6-16(22)9-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-7-4-8-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27).
What are the key properties of 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4109532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).