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

C25H27N5O — CID 20861586

IUPAC7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(N2CCN(c3cc(C)nc4c(-c5ccccc5)c(C)nn34)CC2)cc1
InChIInChI=1S/C25H27N5O/c1-18-17-23(29-15-13-28(14-16-29)21-9-11-22(31-3)12-10-21)30-25(26-18)24(19(2)27-30)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3
InChIKeyQGKAXUALLVXEKT-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.35
Rot. Bonds4

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

7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 20861586) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID20861586
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(N2CCN(c3cc(C)nc4c(-c5ccccc5)c(C)nn34)CC2)cc1
InChIInChI=1S/C25H27N5O/c1-18-17-23(29-15-13-28(14-16-29)21-9-11-22(31-3)12-10-21)30-25(26-18)24(19(2)27-30)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3
InChIKeyQGKAXUALLVXEKT-UHFFFAOYSA-N
XLogP4.35
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 20861586) is 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is COc1ccc(N2CCN(c3cc(C)nc4c(-c5ccccc5)c(C)nn34)CC2)cc1.
What is the InChIKey of 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QGKAXUALLVXEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-18-17-23(29-15-13-28(14-16-29)21-9-11-22(31-3)12-10-21)30-25(26-18)24(19(2)27-30)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3.
What are the key properties of 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 413.53 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 20861586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).