4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole

C19H21N11 — CID 141196391

IUPAC4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole
SMILESc1c[nH]c(C2=C(c3cn[nH]n3)C(N3CCCC3)N(c3ccn[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C19H21N11/c1-2-11-28(10-1)18-16(14-12-24-27-25-14)17(13-4-3-6-20-13)30(19-21-8-9-22-19)29(18)15-5-7-23-26-15/h3-9,12,18,20H,1-2,10-11H2,(H,21,22)(H,23,26)(H,24,25,27)
InChIKeyYQPGDSYAOFYAFO-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.81
Rot. Bonds5

About 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole

4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole (PubChem CID 141196391) has the molecular formula C19H21N11 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole.

Molecular Properties

Compound Name4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole
PubChem CID141196391
Molecular FormulaC19H21N11
Molecular Weight403.45 g/mol
Exact Mass403.20
IUPAC Name4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole
SMILESc1c[nH]c(C2=C(c3cn[nH]n3)C(N3CCCC3)N(c3ccn[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C19H21N11/c1-2-11-28(10-1)18-16(14-12-24-27-25-14)17(13-4-3-6-20-13)30(19-21-8-9-22-19)29(18)15-5-7-23-26-15/h3-9,12,18,20H,1-2,10-11H2,(H,21,22)(H,23,26)(H,24,25,27)
InChIKeyYQPGDSYAOFYAFO-UHFFFAOYSA-N
XLogP1.81
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678861
6-(1H-pyrazol-4-yl)-3-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrazine
CID 136016455
4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-2-(1H-pyrrol-3-yl)-10,10a-dihydropyrimido[1,2-a]benzimidazole
CID 162653728
4-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-2-(1H-pyrrol-3-yl)-10,10a-dihydropyrimido[1,2-a]benzimidazole
CID 162669556
N-(1-(1H-pyrazol-3-yl)-1H-imidazol-4-yl)-2-(2-(pyridin-2-yl)pyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142498415
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-[2-(1H-imidazol-4-yl)ethyl]-2-phenyl-pyrimidine-4,6-diamine
CID 71591854
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
Bis(imidazolyl)porphyrin
CID 129655504
5'-methyl-1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 56865326
3-(5-{2-[4-(1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1H-1,2,4-triazol-3-yl)pyridine
CID 72895123
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808575

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole?
The IUPAC name of 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole (CID 141196391) is 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole.
What is the SMILES notation for 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole?
The canonical SMILES for 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole is c1c[nH]c(C2=C(c3cn[nH]n3)C(N3CCCC3)N(c3ccn[nH]3)N2c2ncc[nH]2)c1.
What is the InChIKey of 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole?
The InChIKey is YQPGDSYAOFYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N11/c1-2-11-28(10-1)18-16(14-12-24-27-25-14)17(13-4-3-6-20-13)30(19-21-8-9-22-19)29(18)15-5-7-23-26-15/h3-9,12,18,20H,1-2,10-11H2,(H,21,22)(H,23,26)(H,24,25,27).
What are the key properties of 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole?
4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole has a molecular weight of 403.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-3H-pyrazol-4-yl]-2H-triazole is sourced from PubChem (CID 141196391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).