1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole

C23H17N7 — CID 155537635

IUPAC1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C23H17N7/c1-15-2-6-18(7-3-15)29-22(10-11-25-29)16-5-9-20-23(12-16)30(28-27-20)19-8-4-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26)
InChIKeyYHPZMJNSIKYRBW-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.46
Rot. Bonds3

About 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole

1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole (PubChem CID 155537635) has the molecular formula C23H17N7 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole
PubChem CID155537635
Molecular FormulaC23H17N7
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C23H17N7/c1-15-2-6-18(7-3-15)29-22(10-11-25-29)16-5-9-20-23(12-16)30(28-27-20)19-8-4-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26)
InChIKeyYHPZMJNSIKYRBW-UHFFFAOYSA-N
XLogP4.46
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile
CID 146020618
4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146020619
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-amine
CID 16730501
5-(4-benzyl-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 25165085
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole (CID 155537635) is 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole is Cc1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole?
The InChIKey is YHPZMJNSIKYRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7/c1-15-2-6-18(7-3-15)29-22(10-11-25-29)16-5-9-20-23(12-16)30(28-27-20)19-8-4-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26).
What are the key properties of 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole?
1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole has a molecular weight of 391.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 155537635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).