7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C25H26N4 — CID 3615753

IUPAC7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C25H26N4/c1-19-16-24(28-14-12-21(13-15-28)17-20-8-4-2-5-9-20)29-25(27-19)23(18-26-29)22-10-6-3-7-11-22/h2-11,16,18,21H,12-15,17H2,1H3
InChIKeyKDJALCKNQHRNLC-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.16
Rot. Bonds4

About 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3615753) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3615753
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C25H26N4/c1-19-16-24(28-14-12-21(13-15-28)17-20-8-4-2-5-9-20)29-25(27-19)23(18-26-29)22-10-6-3-7-11-22/h2-11,16,18,21H,12-15,17H2,1H3
InChIKeyKDJALCKNQHRNLC-UHFFFAOYSA-N
XLogP5.16
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 ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 4896448
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741379
7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 2045013
7-(4-ethylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 4903337
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299149
7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 4974789
7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299153
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741386
7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299129
7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3817354
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid
CID 90723376

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 3615753) is 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KDJALCKNQHRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-19-16-24(28-14-12-21(13-15-28)17-20-8-4-2-5-9-20)29-25(27-19)23(18-26-29)22-10-6-3-7-11-22/h2-11,16,18,21H,12-15,17H2,1H3.
What are the key properties of 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 382.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3615753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).