5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole

C18H19ClN6O — CID 135858758

IUPAC5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1ncc2[nH]c(-c3c(C)nn(C)c3Oc3ccc(Cl)cc3)nc21
InChIInChI=1S/C18H19ClN6O/c1-4-9-25-17-14(10-20-25)21-16(22-17)15-11(2)23-24(3)18(15)26-13-7-5-12(19)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,21,22)
InChIKeyALYWIMMXCRUMJT-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.32
Rot. Bonds5

About 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole

5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135858758) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135858758
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1ncc2[nH]c(-c3c(C)nn(C)c3Oc3ccc(Cl)cc3)nc21
InChIInChI=1S/C18H19ClN6O/c1-4-9-25-17-14(10-20-25)21-16(22-17)15-11(2)23-24(3)18(15)26-13-7-5-12(19)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,21,22)
InChIKeyALYWIMMXCRUMJT-UHFFFAOYSA-N
XLogP4.32
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole (CID 135858758) is 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole is CCCn1ncc2[nH]c(-c3c(C)nn(C)c3Oc3ccc(Cl)cc3)nc21.
What is the InChIKey of 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is ALYWIMMXCRUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-4-9-25-17-14(10-20-25)21-16(22-17)15-11(2)23-24(3)18(15)26-13-7-5-12(19)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,21,22).
What are the key properties of 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole?
5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 370.84 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-1-propyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135858758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).