7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C25H26N4 — CID 166871451

IUPAC7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C3CCCN(Cc4ccccc4)C3)ccnc2c1-c1ccccc1
InChIInChI=1S/C25H26N4/c1-19-24(21-11-6-3-7-12-21)25-26-15-14-23(29(25)27-19)22-13-8-16-28(18-22)17-20-9-4-2-5-10-20/h2-7,9-12,14-15,22H,8,13,16-18H2,1H3
InChIKeyVLICQQKPJNTWSB-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.08
Rot. Bonds4

About 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 166871451) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID166871451
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C3CCCN(Cc4ccccc4)C3)ccnc2c1-c1ccccc1
InChIInChI=1S/C25H26N4/c1-19-24(21-11-6-3-7-12-21)25-26-15-14-23(29(25)27-19)22-13-8-16-28(18-22)17-20-9-4-2-5-10-20/h2-7,9-12,14-15,22H,8,13,16-18H2,1H3
InChIKeyVLICQQKPJNTWSB-UHFFFAOYSA-N
XLogP5.08
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166871092
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452
4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 166871213
7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 166871258
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 166871454
N-[[7-(1-benzylpiperidin-3-yl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-[(2R,6S)-2,6-dimethyloxan-4-yl]methanamine
CID 166871346
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]propan-2-amine
CID 166871264
[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]boronic acid
CID 167436094
7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 175378504
7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871227
N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 166871134

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 166871451) is 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(C3CCCN(Cc4ccccc4)C3)ccnc2c1-c1ccccc1.
What is the InChIKey of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VLICQQKPJNTWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-19-24(21-11-6-3-7-12-21)25-26-15-14-23(29(25)27-19)22-13-8-16-28(18-22)17-20-9-4-2-5-10-20/h2-7,9-12,14-15,22H,8,13,16-18H2,1H3.
What are the key properties of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 382.51 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166871451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).