4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole

C21H18N6 — CID 158761496

IUPAC4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole
SMILESCc1c(Cc2cc(-c3ccc(-n4cccn4)cc3)n[nH]2)ccc2[nH]ncc12
InChIInChI=1S/C21H18N6/c1-14-16(5-8-20-19(14)13-22-25-20)11-17-12-21(26-24-17)15-3-6-18(7-4-15)27-10-2-9-23-27/h2-10,12-13H,11H2,1H3,(H,22,25)(H,24,26)
InChIKeyIOSQFCZNHNYTMO-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.04
Rot. Bonds4

About 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole

4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole (PubChem CID 158761496) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole
PubChem CID158761496
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole
SMILESCc1c(Cc2cc(-c3ccc(-n4cccn4)cc3)n[nH]2)ccc2[nH]ncc12
InChIInChI=1S/C21H18N6/c1-14-16(5-8-20-19(14)13-22-25-20)11-17-12-21(26-24-17)15-3-6-18(7-4-15)27-10-2-9-23-27/h2-10,12-13H,11H2,1H3,(H,22,25)(H,24,26)
InChIKeyIOSQFCZNHNYTMO-UHFFFAOYSA-N
XLogP4.04
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115003623
4-(4-pyrazol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 175799310
4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
CID 139402374
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857
1-(4-bromophenyl)pyrazole
CID 10443564
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
4-(3-pyrazol-1-ylphenyl)-6-(trifluoromethyl)-1H-indazole
CID 71735706
5-methyl-3-pyrazol-1-yl-1H-pyrazole
CID 12560597
5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 102325228
3-(3,4-dichlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 19515586
1-(3-benzyl-4-methylphenyl)pyrazole
CID 58508496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole?
The IUPAC name of 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole (CID 158761496) is 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole.
What is the SMILES notation for 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole?
The canonical SMILES for 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole is Cc1c(Cc2cc(-c3ccc(-n4cccn4)cc3)n[nH]2)ccc2[nH]ncc12.
What is the InChIKey of 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole?
The InChIKey is IOSQFCZNHNYTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-14-16(5-8-20-19(14)13-22-25-20)11-17-12-21(26-24-17)15-3-6-18(7-4-15)27-10-2-9-23-27/h2-10,12-13H,11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole?
4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole has a molecular weight of 354.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole is sourced from PubChem (CID 158761496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).