methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate

C12H14N2O3 — CID 167136916

IUPACmethyl 6-propan-2-yloxy-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc2cn[nH]c2cc1OC(C)C
InChIInChI=1S/C12H14N2O3/c1-7(2)17-11-5-10-8(6-13-14-10)4-9(11)12(15)16-3/h4-7H,1-3H3,(H,13,14)
InChIKeyDZUYBPMBCAFZIR-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.14
Rot. Bonds3

About methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate

methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate (PubChem CID 167136916) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-propan-2-yloxy-1H-indazole-5-carboxylate
PubChem CID167136916
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 6-propan-2-yloxy-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc2cn[nH]c2cc1OC(C)C
InChIInChI=1S/C12H14N2O3/c1-7(2)17-11-5-10-8(6-13-14-10)4-9(11)12(15)16-3/h4-7H,1-3H3,(H,13,14)
InChIKeyDZUYBPMBCAFZIR-UHFFFAOYSA-N
XLogP2.14
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-methoxy-1H-indazole-5-carboxylate
CID 131750256
methyl 5-methoxy-1H-indazole-6-carboxylate
CID 76846397
2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
CID 177065402
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid
CID 118096101
propan-2-yl 1H-indazole-6-carboxylate
CID 33056357
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
methyl 4-amino-5-cyclopropyl-2-propan-2-yloxybenzoate
CID 162370002

Frequently Asked Questions

What is the IUPAC name of methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate?
The IUPAC name of methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate (CID 167136916) is methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate is COC(=O)c1cc2cn[nH]c2cc1OC(C)C.
What is the InChIKey of methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate?
The InChIKey is DZUYBPMBCAFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)17-11-5-10-8(6-13-14-10)4-9(11)12(15)16-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate?
methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate is sourced from PubChem (CID 167136916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).