3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C23H21ClN4 — CID 4975606

IUPAC3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cnn3c(N4CCCCC4)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C23H21ClN4/c24-19-11-9-17(10-12-19)20-16-25-28-22(27-13-5-2-6-14-27)15-21(26-23(20)28)18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14H2
InChIKeyBODUYTOIPUKLHL-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.71
Rot. Bonds3

About 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 4975606) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID4975606
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC Name3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cnn3c(N4CCCCC4)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C23H21ClN4/c24-19-11-9-17(10-12-19)20-16-25-28-22(27-13-5-2-6-14-27)15-21(26-23(20)28)18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14H2
InChIKeyBODUYTOIPUKLHL-UHFFFAOYSA-N
XLogP5.71
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol
CID 7599856
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
7-(azepan-1-yl)-3-(4-fluorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 166626976
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299149
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 8741392
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741379
N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893914
3-(4-chlorophenyl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522142
7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 4974789

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 4975606) is 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Clc1ccc(-c2cnn3c(N4CCCCC4)cc(-c4ccccc4)nc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BODUYTOIPUKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c24-19-11-9-17(10-12-19)20-16-25-28-22(27-13-5-2-6-14-27)15-21(26-23(20)28)18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14H2.
What are the key properties of 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 388.90 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4975606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).