methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate

C18H17FN2O2 — CID 67005486

IUPACmethyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
SMILESCOC(=O)c1cc2cnn(-c3ccc(F)cc3)c2cc1C(C)C
InChIInChI=1S/C18H17FN2O2/c1-11(2)15-9-17-12(8-16(15)18(22)23-3)10-20-21(17)14-6-4-13(19)5-7-14/h4-11H,1-3H3
InChIKeyPHAUWQLSOGEYOZ-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.07
Rot. Bonds3

About methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate

methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate (PubChem CID 67005486) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
PubChem CID67005486
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Namemethyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
SMILESCOC(=O)c1cc2cnn(-c3ccc(F)cc3)c2cc1C(C)C
InChIInChI=1S/C18H17FN2O2/c1-11(2)15-9-17-12(8-16(15)18(22)23-3)10-20-21(17)14-6-4-13(19)5-7-14/h4-11H,1-3H3
InChIKeyPHAUWQLSOGEYOZ-UHFFFAOYSA-N
XLogP4.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247950
2-[[(2S,3R)-3-[1-(4-fluorophenyl)indazol-5-yl]oxybutan-2-yl]amino]-2-oxoacetic acid
CID 159521542
4,4,4-trifluoro-N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2-methylbutanamide
CID 46842969
methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
CID 130223044
ethane;methyl 1-(4-fluorophenyl)-5-(2-methoxyethoxy)pyrazole-4-carboxylate
CID 145347361
N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
CID 59339677
dimethyl 1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate
CID 10041105
N-chloro-1-(4-fluorophenyl)indazol-5-amine
CID 164606394
methyl 4-[1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]benzoate
CID 24937870
N-[(1S,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
CID 87165298

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate (CID 67005486) is methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate is COC(=O)c1cc2cnn(-c3ccc(F)cc3)c2cc1C(C)C.
What is the InChIKey of methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate?
The InChIKey is PHAUWQLSOGEYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11(2)15-9-17-12(8-16(15)18(22)23-3)10-20-21(17)14-6-4-13(19)5-7-14/h4-11H,1-3H3.
What are the key properties of methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate?
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate has a molecular weight of 312.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate is sourced from PubChem (CID 67005486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).