7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine

C23H22ClN5 — CID 4144309

IUPAC7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C23H22ClN5/c1-17-14-23(28-12-10-27(11-13-28)20-9-5-8-19(24)15-20)29-22(25-17)16-21(26-29)18-6-3-2-4-7-18/h2-9,14-16H,10-13H2,1H3
InChIKeyDDIVBPLWDQUZHC-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.68
Rot. Bonds3

About 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine

7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 4144309) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID4144309
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC Name7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C23H22ClN5/c1-17-14-23(28-12-10-27(11-13-28)20-9-5-8-19(24)15-20)29-22(25-17)16-21(26-29)18-6-3-2-4-7-18/h2-9,14-16H,10-13H2,1H3
InChIKeyDDIVBPLWDQUZHC-UHFFFAOYSA-N
XLogP4.68
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378425
N-cycloheptyl-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 46378584
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378505
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-methyl-6-phenylpyridazin-3-one
CID 70275794
2-[4-(5-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
CID 86659721

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine (CID 4144309) is 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DDIVBPLWDQUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c1-17-14-23(28-12-10-27(11-13-28)20-9-5-8-19(24)15-20)29-22(25-17)16-21(26-29)18-6-3-2-4-7-18/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine?
7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 403.92 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4144309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).