6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole

C20H18N6 — CID 135875998

IUPAC6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole
SMILESCc1ccc(Cn2nc(-c3nc4cc5c[nH][nH]c5cc4n3)cc2C)cc1
InChIInChI=1S/C20H18N6/c1-12-3-5-14(6-4-12)11-26-13(2)7-19(25-26)20-22-17-8-15-10-21-24-16(15)9-18(17)23-20/h3-10,21,24H,11H2,1-2H3
InChIKeyRTYDVOJTNYHBKL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.97
Rot. Bonds3

About 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole

6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole (PubChem CID 135875998) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole.

Molecular Properties

Compound Name6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole
PubChem CID135875998
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole
SMILESCc1ccc(Cn2nc(-c3nc4cc5c[nH][nH]c5cc4n3)cc2C)cc1
InChIInChI=1S/C20H18N6/c1-12-3-5-14(6-4-12)11-26-13(2)7-19(25-26)20-22-17-8-15-10-21-24-16(15)9-18(17)23-20/h3-10,21,24H,11H2,1-2H3
InChIKeyRTYDVOJTNYHBKL-UHFFFAOYSA-N
XLogP3.97
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole?
The IUPAC name of 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole (CID 135875998) is 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole.
What is the SMILES notation for 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole?
The canonical SMILES for 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole is Cc1ccc(Cn2nc(-c3nc4cc5c[nH][nH]c5cc4n3)cc2C)cc1.
What is the InChIKey of 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole?
The InChIKey is RTYDVOJTNYHBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-12-3-5-14(6-4-12)11-26-13(2)7-19(25-26)20-22-17-8-15-10-21-24-16(15)9-18(17)23-20/h3-10,21,24H,11H2,1-2H3.
What are the key properties of 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole?
6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole has a molecular weight of 342.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-dihydroimidazo[4,5-f]indazole is sourced from PubChem (CID 135875998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).