N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H24ClN5O — CID 46074569

IUPACN-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c(-c3ccccc3Cl)ccnc12
InChIInChI=1S/C25H24ClN5O/c26-22-9-5-4-8-20(22)23-10-13-27-24-21(16-28-31(23)24)25(32)29-19-11-14-30(15-12-19)17-18-6-2-1-3-7-18/h1-10,13,16,19H,11-12,14-15,17H2,(H,29,32)
InChIKeyXFZJDDQUGUJITL-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.44
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46074569) has the molecular formula C25H24ClN5O and a molecular weight of 445.95 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46074569
Molecular FormulaC25H24ClN5O
Molecular Weight445.95 g/mol
Exact Mass445.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c(-c3ccccc3Cl)ccnc12
InChIInChI=1S/C25H24ClN5O/c26-22-9-5-4-8-20(22)23-10-13-27-24-21(16-28-31(23)24)25(32)29-19-11-14-30(15-12-19)17-18-6-2-1-3-7-18/h1-10,13,16,19H,11-12,14-15,17H2,(H,29,32)
InChIKeyXFZJDDQUGUJITL-UHFFFAOYSA-N
XLogP4.44
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-chlorophenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855250
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-2-chlorobenzamide
CID 17176573
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
4-[(1-benzylpiperidin-4-yl)amino]-N-cyclopropyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753452
N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide
CID 124841530
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-cyclopentyl-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109662
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46074569) is N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c(-c3ccccc3Cl)ccnc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XFZJDDQUGUJITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O/c26-22-9-5-4-8-20(22)23-10-13-27-24-21(16-28-31(23)24)25(32)29-19-11-14-30(15-12-19)17-18-6-2-1-3-7-18/h1-10,13,16,19H,11-12,14-15,17H2,(H,29,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46074569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).