2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol

C21H23FN2O — CID 171528198

IUPAC2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol
SMILESCc1c(F)cc(-c2ccc(C(C)(C)O)c3nn(C)cc23)cc1C1CC1
InChIInChI=1S/C21H23FN2O/c1-12-16(13-5-6-13)9-14(10-19(12)22)15-7-8-18(21(2,3)25)20-17(15)11-24(4)23-20/h7-11,13,25H,5-6H2,1-4H3
InChIKeyHESCLLKAHLTMAF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.79
Rot. Bonds3

About 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol

2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol (PubChem CID 171528198) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol
PubChem CID171528198
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol
SMILESCc1c(F)cc(-c2ccc(C(C)(C)O)c3nn(C)cc23)cc1C1CC1
InChIInChI=1S/C21H23FN2O/c1-12-16(13-5-6-13)9-14(10-19(12)22)15-7-8-18(21(2,3)25)20-17(15)11-24(4)23-20/h7-11,13,25H,5-6H2,1-4H3
InChIKeyHESCLLKAHLTMAF-UHFFFAOYSA-N
XLogP4.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol?
The IUPAC name of 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol (CID 171528198) is 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol?
The canonical SMILES for 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol is Cc1c(F)cc(-c2ccc(C(C)(C)O)c3nn(C)cc23)cc1C1CC1.
What is the InChIKey of 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol?
The InChIKey is HESCLLKAHLTMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-12-16(13-5-6-13)9-14(10-19(12)22)15-7-8-18(21(2,3)25)20-17(15)11-24(4)23-20/h7-11,13,25H,5-6H2,1-4H3.
What are the key properties of 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol?
2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol has a molecular weight of 338.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol is sourced from PubChem (CID 171528198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).