1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole

C13H18N6 — CID 135966217

IUPAC1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1ncc(-c2nc3c(cnn3CC)[nH]2)c1C
InChIInChI=1S/C13H18N6/c1-4-6-19-9(3)10(7-14-19)12-16-11-8-15-18(5-2)13(11)17-12/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyQJZIQTZMMMYCJW-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole

1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966217) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135966217
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1ncc(-c2nc3c(cnn3CC)[nH]2)c1C
InChIInChI=1S/C13H18N6/c1-4-6-19-9(3)10(7-14-19)12-16-11-8-15-18(5-2)13(11)17-12/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyQJZIQTZMMMYCJW-UHFFFAOYSA-N
XLogP2.36
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole (CID 135966217) is 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is CCCn1ncc(-c2nc3c(cnn3CC)[nH]2)c1C.
What is the InChIKey of 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is QJZIQTZMMMYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-6-19-9(3)10(7-14-19)12-16-11-8-15-18(5-2)13(11)17-12/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole?
1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 258.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-methyl-1-propylpyrazol-4-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).