5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

C20H19N7O — CID 135882188

IUPAC5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1cc(C)c(-c2nc3c(cnn3Cc3ccco3)[nH]2)cc1Cn1cncn1
InChIInChI=1S/C20H19N7O/c1-13-6-14(2)17(7-15(13)9-26-12-21-11-23-26)19-24-18-8-22-27(20(18)25-19)10-16-4-3-5-28-16/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)
InChIKeyWKQGNCIACYEPCB-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.32
Rot. Bonds5

About 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135882188) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135882188
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1cc(C)c(-c2nc3c(cnn3Cc3ccco3)[nH]2)cc1Cn1cncn1
InChIInChI=1S/C20H19N7O/c1-13-6-14(2)17(7-15(13)9-26-12-21-11-23-26)19-24-18-8-22-27(20(18)25-19)10-16-4-3-5-28-16/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)
InChIKeyWKQGNCIACYEPCB-UHFFFAOYSA-N
XLogP3.32
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135882188) is 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is Cc1cc(C)c(-c2nc3c(cnn3Cc3ccco3)[nH]2)cc1Cn1cncn1.
What is the InChIKey of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is WKQGNCIACYEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13-6-14(2)17(7-15(13)9-26-12-21-11-23-26)19-24-18-8-22-27(20(18)25-19)10-16-4-3-5-28-16/h3-8,11-12H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 373.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135882188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).