4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C15H15ClN6 — CID 2422329

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESClc1cccc(N2CCN(c3ncnc4[nH]ncc34)CC2)c1
InChIInChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)21-4-6-22(7-5-21)15-13-9-19-20-14(13)17-10-18-15/h1-3,8-10H,4-7H2,(H,17,18,19,20)
InChIKeyLCGMENDABLGZBC-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.33
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 2422329) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID2422329
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESClc1cccc(N2CCN(c3ncnc4[nH]ncc34)CC2)c1
InChIInChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)21-4-6-22(7-5-21)15-13-9-19-20-14(13)17-10-18-15/h1-3,8-10H,4-7H2,(H,17,18,19,20)
InChIKeyLCGMENDABLGZBC-UHFFFAOYSA-N
XLogP2.33
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 2422329) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Clc1cccc(N2CCN(c3ncnc4[nH]ncc34)CC2)c1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is LCGMENDABLGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)21-4-6-22(7-5-21)15-13-9-19-20-14(13)17-10-18-15/h1-3,8-10H,4-7H2,(H,17,18,19,20).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 314.78 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 2422329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).