1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole

C16H16N6 — CID 135915548

IUPAC1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)n1ncc2[nH]c(-c3ccc(-n4cccn4)cc3)nc21
InChIInChI=1S/C16H16N6/c1-11(2)22-16-14(10-18-22)19-15(20-16)12-4-6-13(7-5-12)21-9-3-8-17-21/h3-11H,1-2H3,(H,19,20)
InChIKeyMGZULIRCWLFQQN-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.19
Rot. Bonds3

About 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole

1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135915548) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135915548
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)n1ncc2[nH]c(-c3ccc(-n4cccn4)cc3)nc21
InChIInChI=1S/C16H16N6/c1-11(2)22-16-14(10-18-22)19-15(20-16)12-4-6-13(7-5-12)21-9-3-8-17-21/h3-11H,1-2H3,(H,19,20)
InChIKeyMGZULIRCWLFQQN-UHFFFAOYSA-N
XLogP3.19
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole (CID 135915548) is 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole is CC(C)n1ncc2[nH]c(-c3ccc(-n4cccn4)cc3)nc21.
What is the InChIKey of 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is MGZULIRCWLFQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-11(2)22-16-14(10-18-22)19-15(20-16)12-4-6-13(7-5-12)21-9-3-8-17-21/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 292.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135915548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).