1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole

C19H19ClN6 — CID 135884260

IUPAC1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1nc(C)c(-c2nc3c([nH]2)c(C)nn3Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C19H19ClN6/c1-10-11(2)22-16(12(3)21-10)18-23-17-13(4)25-26(19(17)24-18)9-14-6-5-7-15(20)8-14/h5-8H,9H2,1-4H3,(H,23,24)
InChIKeyVAGWQWSXZPFBGU-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.15
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole

1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135884260) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135884260
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCc1nc(C)c(-c2nc3c([nH]2)c(C)nn3Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C19H19ClN6/c1-10-11(2)22-16(12(3)21-10)18-23-17-13(4)25-26(19(17)24-18)9-14-6-5-7-15(20)8-14/h5-8H,9H2,1-4H3,(H,23,24)
InChIKeyVAGWQWSXZPFBGU-UHFFFAOYSA-N
XLogP4.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole (CID 135884260) is 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole is Cc1nc(C)c(-c2nc3c([nH]2)c(C)nn3Cc2cccc(Cl)c2)nc1C.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is VAGWQWSXZPFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6/c1-10-11(2)22-16(12(3)21-10)18-23-17-13(4)25-26(19(17)24-18)9-14-6-5-7-15(20)8-14/h5-8H,9H2,1-4H3,(H,23,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole?
1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 366.86 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-methyl-5-(3,5,6-trimethylpyrazin-2-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135884260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).