7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole

C20H21ClN2O — CID 68885366

IUPAC7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole
SMILESCOc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)c(C)c1
InChIInChI=1S/C20H21ClN2O/c1-13-12-15(24-2)10-11-16(13)19-17-8-5-9-18(21)20(17)23(22-19)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3
InChIKeyRAMOVAOJYLTRDI-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.79
Rot. Bonds3

About 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole

7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole (PubChem CID 68885366) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole.

Molecular Properties

Compound Name7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole
PubChem CID68885366
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole
SMILESCOc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)c(C)c1
InChIInChI=1S/C20H21ClN2O/c1-13-12-15(24-2)10-11-16(13)19-17-8-5-9-18(21)20(17)23(22-19)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3
InChIKeyRAMOVAOJYLTRDI-UHFFFAOYSA-N
XLogP5.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole
CID 68885759
1-cyclopentyl-7-fluoro-3-(4-methoxyphenyl)indazole
CID 68884306
7-chloro-3-(2,4-dimethoxyphenyl)-1-prop-2-enylindazole
CID 68885879
4-bromo-1-cyclopentyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587192
2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole
CID 67021489
9-benzyl-3-(4-methoxy-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971039
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
CID 106518613
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
1-cyclopentyl-3-(2,4-dimethoxyphenyl)pyrazol-4-amine
CID 83203633
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
CID 61376382
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole?
The IUPAC name of 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole (CID 68885366) is 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole.
What is the SMILES notation for 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole?
The canonical SMILES for 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole is COc1ccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)c(C)c1.
What is the InChIKey of 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole?
The InChIKey is RAMOVAOJYLTRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-13-12-15(24-2)10-11-16(13)19-17-8-5-9-18(21)20(17)23(22-19)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3.
What are the key properties of 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole?
7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole has a molecular weight of 340.85 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentyl-3-(4-methoxy-2-methylphenyl)indazole is sourced from PubChem (CID 68885366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).