5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin

C32H24N12 — CID 91428846

IUPAC5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
SMILESc1cnn(C2=c3ccc([nH]3)=C(n3cccn3)c3ccc([nH]3)C(n3cccn3)=c3ccc([nH]3)=C(n3cccn3)c3ccc2[nH]3)c1
InChIInChI=1S/C32H24N12/c1-13-33-41(17-1)29-21-5-7-23(37-21)30(42-18-2-14-34-42)25-9-11-27(39-25)32(44-20-4-16-36-44)28-12-10-26(40-28)31(43-19-3-15-35-43)24-8-6-22(29)38-24/h1-20,37-40H
InChIKeySKQIAZUXBURELX-UHFFFAOYSA-N
MW576.63 g/mol
LogP0.92
Rot. Bonds4

About 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91428846) has the molecular formula C32H24N12 and a molecular weight of 576.63 g/mol. Its IUPAC name is 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91428846
Molecular FormulaC32H24N12
Molecular Weight576.63 g/mol
Exact Mass576.22
IUPAC Name5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
SMILESc1cnn(C2=c3ccc([nH]3)=C(n3cccn3)c3ccc([nH]3)C(n3cccn3)=c3ccc([nH]3)=C(n3cccn3)c3ccc2[nH]3)c1
InChIInChI=1S/C32H24N12/c1-13-33-41(17-1)29-21-5-7-23(37-21)30(42-18-2-14-34-42)25-9-11-27(39-25)32(44-20-4-16-36-44)28-12-10-26(40-28)31(43-19-3-15-35-43)24-8-6-22(29)38-24/h1-20,37-40H
InChIKeySKQIAZUXBURELX-UHFFFAOYSA-N
XLogP0.92
TPSA134.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.63
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Bilane
CID 9548777
5,10,15,20-Tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 53980392
Tetrahydrotetraazaporphyrin
CID 129818363
2,2'-Bipyrrolyl-pyrromethene
CID 129829513
Bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene
CID 135973971
5,10,15,20-Tetra-1H-pyrazol-4-yl-21H,23H-porphine
CID 141422818
3,5-Dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
CID 5256864
1-[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
CID 102091686
1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
CID 102459285
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 102479602
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393616
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393617

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin (CID 91428846) is 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin is c1cnn(C2=c3ccc([nH]3)=C(n3cccn3)c3ccc([nH]3)C(n3cccn3)=c3ccc([nH]3)=C(n3cccn3)c3ccc2[nH]3)c1.
What is the InChIKey of 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is SKQIAZUXBURELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N12/c1-13-33-41(17-1)29-21-5-7-23(37-21)30(42-18-2-14-34-42)25-9-11-27(39-25)32(44-20-4-16-36-44)28-12-10-26(40-28)31(43-19-3-15-35-43)24-8-6-22(29)38-24/h1-20,37-40H.
What are the key properties of 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 576.63 g/mol, XLogP of 0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91428846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).