6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole

C17H13ClN4O — CID 71694716

IUPAC6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
SMILESCOc1cccc(-c2cc(-c3n[nH]c4cc(Cl)ccc34)[nH]n2)c1
InChIInChI=1S/C17H13ClN4O/c1-23-12-4-2-3-10(7-12)14-9-16(21-19-14)17-13-6-5-11(18)8-15(13)20-22-17/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyBYAGIVOTSJWMKX-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.28
Rot. Bonds3

About 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole

6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole (PubChem CID 71694716) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole.

Molecular Properties

Compound Name6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
PubChem CID71694716
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
SMILESCOc1cccc(-c2cc(-c3n[nH]c4cc(Cl)ccc34)[nH]n2)c1
InChIInChI=1S/C17H13ClN4O/c1-23-12-4-2-3-10(7-12)14-9-16(21-19-14)17-13-6-5-11(18)8-15(13)20-22-17/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyBYAGIVOTSJWMKX-UHFFFAOYSA-N
XLogP4.28
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole
CID 135754604
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 19330341
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole
CID 137308412
3-(3-chlorophenyl)-1H-indazol-6-amine
CID 39218524
6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 163234729
5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
CID 141127441
3-(3-chlorophenyl)-6-(2-fluorophenoxy)-1H-indazole
CID 11186810
(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82393432
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole?
The IUPAC name of 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole (CID 71694716) is 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole.
What is the SMILES notation for 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole?
The canonical SMILES for 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole is COc1cccc(-c2cc(-c3n[nH]c4cc(Cl)ccc34)[nH]n2)c1.
What is the InChIKey of 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole?
The InChIKey is BYAGIVOTSJWMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-23-12-4-2-3-10(7-12)14-9-16(21-19-14)17-13-6-5-11(18)8-15(13)20-22-17/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole?
6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole has a molecular weight of 324.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole is sourced from PubChem (CID 71694716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).