1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C18H18N4 — CID 4266960

IUPAC1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3ccccn3)c3c2NCC3)c(C)c1
InChIInChI=1S/C18H18N4/c1-12-6-7-16(13(2)11-12)22-18-14(8-10-20-18)17(21-22)15-5-3-4-9-19-15/h3-7,9,11,20H,8,10H2,1-2H3
InChIKeyGETUQNGVOKEEFR-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.52
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4266960) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4266960
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3ccccn3)c3c2NCC3)c(C)c1
InChIInChI=1S/C18H18N4/c1-12-6-7-16(13(2)11-12)22-18-14(8-10-20-18)17(21-22)15-5-3-4-9-19-15/h3-7,9,11,20H,8,10H2,1-2H3
InChIKeyGETUQNGVOKEEFR-UHFFFAOYSA-N
XLogP3.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4266960) is 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1ccc(-n2nc(-c3ccccn3)c3c2NCC3)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is GETUQNGVOKEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-6-7-16(13(2)11-12)22-18-14(8-10-20-18)17(21-22)15-5-3-4-9-19-15/h3-7,9,11,20H,8,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 290.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4266960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).