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

C21H25N5O — CID 124975578

IUPAC7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4ccccc4)C3)ccnc12
InChIInChI=1S/C21H25N5O/c1-24(2)21(27)18-13-23-26-19(10-11-22-20(18)26)17-9-6-12-25(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyKYYFHZZXJNVVHW-KRWDZBQOSA-N
MW363.47 g/mol
LogP2.81
Rot. Bonds4

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

7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124975578) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124975578
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4ccccc4)C3)ccnc12
InChIInChI=1S/C21H25N5O/c1-24(2)21(27)18-13-23-26-19(10-11-22-20(18)26)17-9-6-12-25(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyKYYFHZZXJNVVHW-KRWDZBQOSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124948056
7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255
N-methyl-7-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124952194
7-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124959760
N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968986
N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101042
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
7-[(3S)-1-cyclopentylpyrrolidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125000527
N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101005
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125023570
N,N-dimethyl-7-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124941229
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-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124975578) is 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c([C@H]3CCCN(Cc4ccccc4)C3)ccnc12.
What is the InChIKey of 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYYFHZZXJNVVHW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24(2)21(27)18-13-23-26-19(10-11-22-20(18)26)17-9-6-12-25(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124975578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).