6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N4O2 — CID 4586027

IUPAC6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCC3CCCO3)cnn2c(C)c1Cc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-14-18(11-16-7-4-3-5-8-16)15(2)25-20(24-14)19(13-23-25)21(26)22-12-17-9-6-10-27-17/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,22,26)
InChIKeyPXVUCMBXSUAEMF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.85
Rot. Bonds5

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

6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4586027) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4586027
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCC3CCCO3)cnn2c(C)c1Cc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-14-18(11-16-7-4-3-5-8-16)15(2)25-20(24-14)19(13-23-25)21(26)22-12-17-9-6-10-27-17/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,22,26)
InChIKeyPXVUCMBXSUAEMF-UHFFFAOYSA-N
XLogP2.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4119482
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818321
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4300024
5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 6991804
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3131909
6-[(3-bromophenyl)methyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92695544
5-(5-ethylthiophen-2-yl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17023713
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25491166

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4586027) is 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCC3CCCO3)cnn2c(C)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PXVUCMBXSUAEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-18(11-16-7-4-3-5-8-16)15(2)25-20(24-14)19(13-23-25)21(26)22-12-17-9-6-10-27-17/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,22,26).
What are the key properties of 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4586027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).