methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate

C13H15FN2O2 — CID 144672684

IUPACmethyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-8(2)7-16-11-5-4-9(14)6-10(11)12(15-16)13(17)18-3/h4-6,8H,7H2,1-3H3
InChIKeyHMKIOTDIBQCVBF-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.62
Rot. Bonds3

About methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate

methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate (PubChem CID 144672684) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
PubChem CID144672684
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Namemethyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-8(2)7-16-11-5-4-9(14)6-10(11)12(15-16)13(17)18-3/h4-6,8H,7H2,1-3H3
InChIKeyHMKIOTDIBQCVBF-UHFFFAOYSA-N
XLogP2.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745
3-chloro-5-fluoro-1-(2-methylpropyl)indazole
CID 105484197
methyl 5-bromo-1-ethylindazole-3-carboxylate
CID 170559421
methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
CID 66887230
methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 154814868
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
methyl 6-amino-1-[(2-chloro-4-fluorophenyl)methyl]indazole-3-carboxylate
CID 69403138
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
methyl 5-bromo-1-butan-2-ylindazole-3-carboxylate
CID 175498315
methyl 5-bromo-1-[(2S)-butan-2-yl]indazole-3-carboxylate
CID 170559471
1-[1-(2,2-difluoroethyl)indazol-3-yl]-2-methylpropan-1-one
CID 118442196
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate?
The IUPAC name of methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate (CID 144672684) is methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate is COC(=O)c1nn(CC(C)C)c2ccc(F)cc12.
What is the InChIKey of methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate?
The InChIKey is HMKIOTDIBQCVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(2)7-16-11-5-4-9(14)6-10(11)12(15-16)13(17)18-3/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate?
methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate has a molecular weight of 250.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate is sourced from PubChem (CID 144672684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).