5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole

C13H17ClN6 — CID 135876472

IUPAC5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole
SMILESCCC(CC)n1ncc2[nH]c(-c3nn(C)cc3Cl)nc21
InChIInChI=1S/C13H17ClN6/c1-4-8(5-2)20-13-10(6-15-20)16-12(17-13)11-9(14)7-19(3)18-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyRSSNQVSFYBVBAI-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.17
Rot. Bonds4

About 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole

5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135876472) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole
PubChem CID135876472
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole
SMILESCCC(CC)n1ncc2[nH]c(-c3nn(C)cc3Cl)nc21
InChIInChI=1S/C13H17ClN6/c1-4-8(5-2)20-13-10(6-15-20)16-12(17-13)11-9(14)7-19(3)18-11/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyRSSNQVSFYBVBAI-UHFFFAOYSA-N
XLogP3.17
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole (CID 135876472) is 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole is CCC(CC)n1ncc2[nH]c(-c3nn(C)cc3Cl)nc21.
What is the InChIKey of 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is RSSNQVSFYBVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-4-8(5-2)20-13-10(6-15-20)16-12(17-13)11-9(14)7-19(3)18-11/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole?
5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 292.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylpyrazol-3-yl)-1-pentan-3-yl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135876472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).