6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole

C23H14ClF2N7 — CID 146433539

IUPAC6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
SMILESFc1cc(Cl)ccc1Cn1nccc1-c1cc(F)c2nnn(-c3ccc4cn[nH]c4c3)c2c1
InChIInChI=1S/C23H14ClF2N7/c24-16-3-1-14(18(25)9-16)12-32-21(5-6-28-32)15-7-19(26)23-22(8-15)33(31-30-23)17-4-2-13-11-27-29-20(13)10-17/h1-11H,12H2,(H,27,29)
InChIKeyHHOCFKXRGABEBU-UHFFFAOYSA-N
MW461.86 g/mol
LogP5.14
Rot. Bonds4

About 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole

6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 146433539) has the molecular formula C23H14ClF2N7 and a molecular weight of 461.86 g/mol. Its IUPAC name is 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
PubChem CID146433539
Molecular FormulaC23H14ClF2N7
Molecular Weight461.86 g/mol
Exact Mass461.10
IUPAC Name6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
SMILESFc1cc(Cl)ccc1Cn1nccc1-c1cc(F)c2nnn(-c3ccc4cn[nH]c4c3)c2c1
InChIInChI=1S/C23H14ClF2N7/c24-16-3-1-14(18(25)9-16)12-32-21(5-6-28-32)15-7-19(26)23-22(8-15)33(31-30-23)17-4-2-13-11-27-29-20(13)10-17/h1-11H,12H2,(H,27,29)
InChIKeyHHOCFKXRGABEBU-UHFFFAOYSA-N
XLogP5.14
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-(1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166059
5-(1-(3-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166250
5-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166251
CID 146433253
CID 146433253
1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146433315
4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146433462
4-[[5-[3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
CID 146433473
6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-3-amine
CID 146433574
6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155516730
1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole
CID 155517112

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole (CID 146433539) is 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole is Fc1cc(Cl)ccc1Cn1nccc1-c1cc(F)c2nnn(-c3ccc4cn[nH]c4c3)c2c1.
What is the InChIKey of 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is HHOCFKXRGABEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N7/c24-16-3-1-14(18(25)9-16)12-32-21(5-6-28-32)15-7-19(26)23-22(8-15)33(31-30-23)17-4-2-13-11-27-29-20(13)10-17/h1-11H,12H2,(H,27,29).
What are the key properties of 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole?
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 461.86 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 146433539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).