4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C16H17ClN6 — CID 67163351

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H17ClN6/c1-11-2-3-12(17)8-14(11)22-4-6-23(7-5-22)16-13-9-20-21-15(13)18-10-19-16/h2-3,8-10H,4-7H2,1H3,(H,18,19,20,21)
InChIKeyOJSJVZOGAFBPJE-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.64
Rot. Bonds2

About 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 67163351) has the molecular formula C16H17ClN6 and a molecular weight of 328.81 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID67163351
Molecular FormulaC16H17ClN6
Molecular Weight328.81 g/mol
Exact Mass328.12
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H17ClN6/c1-11-2-3-12(17)8-14(11)22-4-6-23(7-5-22)16-13-9-20-21-15(13)18-10-19-16/h2-3,8-10H,4-7H2,1H3,(H,18,19,20,21)
InChIKeyOJSJVZOGAFBPJE-UHFFFAOYSA-N
XLogP2.64
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 67163351) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OJSJVZOGAFBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6/c1-11-2-3-12(17)8-14(11)22-4-6-23(7-5-22)16-13-9-20-21-15(13)18-10-19-16/h2-3,8-10H,4-7H2,1H3,(H,18,19,20,21).
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 328.81 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 67163351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).