methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate

C12H16N2O2 — CID 90356055

IUPACmethyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CNN2C(C)C
InChIInChI=1S/C12H16N2O2/c1-8(2)14-11-5-4-9(12(15)16-3)6-10(11)7-13-14/h4-6,8,13H,7H2,1-3H3
InChIKeyUZIPNAQVOZNBFZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.71
Rot. Bonds2

About methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate

methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate (PubChem CID 90356055) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate
PubChem CID90356055
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CNN2C(C)C
InChIInChI=1S/C12H16N2O2/c1-8(2)14-11-5-4-9(12(15)16-3)6-10(11)7-13-14/h4-6,8,13H,7H2,1-3H3
InChIKeyUZIPNAQVOZNBFZ-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
CID 156503281
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
CID 129479747
methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
CID 59456871
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
methyl 1-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylate
CID 143018821
methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate
CID 66758827
methyl 3-amino-4-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537177

Frequently Asked Questions

What is the IUPAC name of methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate?
The IUPAC name of methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate (CID 90356055) is methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate.
What is the SMILES notation for methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate?
The canonical SMILES for methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate is COC(=O)c1ccc2c(c1)CNN2C(C)C.
What is the InChIKey of methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate?
The InChIKey is UZIPNAQVOZNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)14-11-5-4-9(12(15)16-3)6-10(11)7-13-14/h4-6,8,13H,7H2,1-3H3.
What are the key properties of methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate?
methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate is sourced from PubChem (CID 90356055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).