5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole

C24H21N11 — CID 141167221

IUPAC5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole
SMILESc1c[nH]c(N2N(c3cc[nH]c3)C(n3ccnc3)=C(c3ncc[nH]3)C2(c2cnc[nH]2)n2cccc2)c1
InChIInChI=1S/C24H21N11/c1-2-12-33(11-1)24(19-15-27-16-31-19)21(22-29-8-9-30-22)23(32-13-10-26-17-32)34(18-5-7-25-14-18)35(24)20-4-3-6-28-20/h1-17,25,28H,(H,27,31)(H,29,30)
InChIKeyFTQUBHBOXBMJES-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.46
Rot. Bonds6

About 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole

5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole (PubChem CID 141167221) has the molecular formula C24H21N11 and a molecular weight of 463.51 g/mol. Its IUPAC name is 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole.

Molecular Properties

Compound Name5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole
PubChem CID141167221
Molecular FormulaC24H21N11
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole
SMILESc1c[nH]c(N2N(c3cc[nH]c3)C(n3ccnc3)=C(c3ncc[nH]3)C2(c2cnc[nH]2)n2cccc2)c1
InChIInChI=1S/C24H21N11/c1-2-12-33(11-1)24(19-15-27-16-31-19)21(22-29-8-9-30-22)23(32-13-10-26-17-32)34(18-5-7-25-14-18)35(24)20-4-3-6-28-20/h1-17,25,28H,(H,27,31)(H,29,30)
InChIKeyFTQUBHBOXBMJES-UHFFFAOYSA-N
XLogP3.46
TPSA118.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole?
The IUPAC name of 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole (CID 141167221) is 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole.
What is the SMILES notation for 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole?
The canonical SMILES for 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole is c1c[nH]c(N2N(c3cc[nH]c3)C(n3ccnc3)=C(c3ncc[nH]3)C2(c2cnc[nH]2)n2cccc2)c1.
What is the InChIKey of 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole?
The InChIKey is FTQUBHBOXBMJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N11/c1-2-12-33(11-1)24(19-15-27-16-31-19)21(22-29-8-9-30-22)23(32-13-10-26-17-32)34(18-5-7-25-14-18)35(24)20-4-3-6-28-20/h1-17,25,28H,(H,27,31)(H,29,30).
What are the key properties of 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole?
5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole has a molecular weight of 463.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole is sourced from PubChem (CID 141167221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).