7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine

C20H22N8 — CID 91615781

IUPAC7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2nnn(CCN3CCCCC3)n2)cc(-c2ccnc3ccnn23)c1
InChIInChI=1S/C20H22N8/c1-2-11-26(12-3-1)13-14-27-24-20(23-25-27)17-6-4-5-16(15-17)18-7-9-21-19-8-10-22-28(18)19/h4-10,15H,1-3,11-14H2
InChIKeyKHOHTTFXPPVDAG-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.54
Rot. Bonds5

About 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine

7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 91615781) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID91615781
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2nnn(CCN3CCCCC3)n2)cc(-c2ccnc3ccnn23)c1
InChIInChI=1S/C20H22N8/c1-2-11-26(12-3-1)13-14-27-24-20(23-25-27)17-6-4-5-16(15-17)18-7-9-21-19-8-10-22-28(18)19/h4-10,15H,1-3,11-14H2
InChIKeyKHOHTTFXPPVDAG-UHFFFAOYSA-N
XLogP2.54
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine (CID 91615781) is 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine is c1cc(-c2nnn(CCN3CCCCC3)n2)cc(-c2ccnc3ccnn23)c1.
What is the InChIKey of 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KHOHTTFXPPVDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-2-11-26(12-3-1)13-14-27-24-20(23-25-27)17-6-4-5-16(15-17)18-7-9-21-19-8-10-22-28(18)19/h4-10,15H,1-3,11-14H2.
What are the key properties of 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine?
7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 374.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91615781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).