7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N5O — CID 124948056

IUPAC7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCCN3Cc3ccccc3)ccnc12
InChIInChI=1S/C21H25N5O/c1-24(2)21(27)17-14-23-26-19(11-12-22-20(17)26)18-10-6-7-13-25(18)15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,18H,6-7,10,13,15H2,1-2H3/t18-/m1/s1
InChIKeyCKEPSHGPDFRAQF-GOSISDBHSA-N
MW363.47 g/mol
LogP3.16
Rot. Bonds4

About 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124948056) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124948056
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCCN3Cc3ccccc3)ccnc12
InChIInChI=1S/C21H25N5O/c1-24(2)21(27)17-14-23-26-19(11-12-22-20(17)26)18-10-6-7-13-25(18)15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,18H,6-7,10,13,15H2,1-2H3/t18-/m1/s1
InChIKeyCKEPSHGPDFRAQF-GOSISDBHSA-N
XLogP3.16
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110100967
N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124939569
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
7-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110094764
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968290
7-[(3S)-1-cyclopentylpyrrolidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125000527
7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255
N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968986
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964936
7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964935
N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124992229

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124948056) is 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c([C@H]3CCCCN3Cc3ccccc3)ccnc12.
What is the InChIKey of 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CKEPSHGPDFRAQF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24(2)21(27)17-14-23-26-19(11-12-22-20(17)26)18-10-6-7-13-25(18)15-16-8-4-3-5-9-16/h3-5,8-9,11-12,14,18H,6-7,10,13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124948056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).