7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C26H29N5 — CID 4974789

IUPAC7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCN(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C26H29N5/c1-20(2)24-17-25(30-15-13-29(14-16-30)19-21-9-5-3-6-10-21)31-26(28-24)23(18-27-31)22-11-7-4-8-12-22/h3-12,17-18,20H,13-16,19H2,1-2H3
InChIKeyHDNMOEAUGMPIGR-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.84
Rot. Bonds5

About 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 4974789) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID4974789
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCN(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C26H29N5/c1-20(2)24-17-25(30-15-13-29(14-16-30)19-21-9-5-3-6-10-21)31-26(28-24)23(18-27-31)22-11-7-4-8-12-22/h3-12,17-18,20H,13-16,19H2,1-2H3
InChIKeyHDNMOEAUGMPIGR-UHFFFAOYSA-N
XLogP4.84
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 4974789) is 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc(N2CCN(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HDNMOEAUGMPIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-20(2)24-17-25(30-15-13-29(14-16-30)19-21-9-5-3-6-10-21)31-26(28-24)23(18-27-31)22-11-7-4-8-12-22/h3-12,17-18,20H,13-16,19H2,1-2H3.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 411.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4974789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).