2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C23H28N6 — CID 25385316

IUPAC2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCN(CCCn5cccn5)CC4)n2)CCC3)cc1
InChIInChI=1S/C23H28N6/c1-2-7-19(8-3-1)22-25-21-10-4-9-20(21)23(26-22)28-17-15-27(16-18-28)12-6-14-29-13-5-11-24-29/h1-3,5,7-8,11,13H,4,6,9-10,12,14-18H2
InChIKeySTHQRRCVQLLORO-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.04
Rot. Bonds6

About 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 25385316) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID25385316
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCN(CCCn5cccn5)CC4)n2)CCC3)cc1
InChIInChI=1S/C23H28N6/c1-2-7-19(8-3-1)22-25-21-10-4-9-20(21)23(26-22)28-17-15-27(16-18-28)12-6-14-29-13-5-11-24-29/h1-3,5,7-8,11,13H,4,6,9-10,12,14-18H2
InChIKeySTHQRRCVQLLORO-UHFFFAOYSA-N
XLogP3.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 25385316) is 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(-c2nc3c(c(N4CCN(CCCn5cccn5)CC4)n2)CCC3)cc1.
What is the InChIKey of 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is STHQRRCVQLLORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-2-7-19(8-3-1)22-25-21-10-4-9-20(21)23(26-22)28-17-15-27(16-18-28)12-6-14-29-13-5-11-24-29/h1-3,5,7-8,11,13H,4,6,9-10,12,14-18H2.
What are the key properties of 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 388.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 25385316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).