5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C26H35N5 — CID 4671199

IUPAC5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(N3CCN(C4CCCC4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C26H35N5/c1-19-24(20-10-6-5-7-11-20)25-27-22(26(2,3)4)18-23(31(25)28-19)30-16-14-29(15-17-30)21-12-8-9-13-21/h5-7,10-11,18,21H,8-9,12-17H2,1-4H3
InChIKeyNPKJZZBECQUUNU-UHFFFAOYSA-N
MW417.60 g/mol
LogP5.07
Rot. Bonds3

About 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 4671199) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID4671199
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC Name5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(N3CCN(C4CCCC4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C26H35N5/c1-19-24(20-10-6-5-7-11-20)25-27-22(26(2,3)4)18-23(31(25)28-19)30-16-14-29(15-17-30)21-12-8-9-13-21/h5-7,10-11,18,21H,8-9,12-17H2,1-4H3
InChIKeyNPKJZZBECQUUNU-UHFFFAOYSA-N
XLogP5.07
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 4671199) is 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(N3CCN(C4CCCC4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1.
What is the InChIKey of 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NPKJZZBECQUUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5/c1-19-24(20-10-6-5-7-11-20)25-27-22(26(2,3)4)18-23(31(25)28-19)30-16-14-29(15-17-30)21-12-8-9-13-21/h5-7,10-11,18,21H,8-9,12-17H2,1-4H3.
What are the key properties of 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 417.60 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4671199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).