methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate

C12H14N2O2 — CID 59728955

IUPACmethyl 4,5,7-trimethyl-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(C)cc(C)c(C)c12
InChIInChI=1S/C12H14N2O2/c1-6-5-7(2)10-9(8(6)3)11(14-13-10)12(15)16-4/h5H,1-4H3,(H,13,14)
InChIKeyPEIBVXZEGCAWMV-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.27
Rot. Bonds1

About methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate

methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate (PubChem CID 59728955) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5,7-trimethyl-2H-indazole-3-carboxylate
PubChem CID59728955
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 4,5,7-trimethyl-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(C)cc(C)c(C)c12
InChIInChI=1S/C12H14N2O2/c1-6-5-7(2)10-9(8(6)3)11(14-13-10)12(15)16-4/h5H,1-4H3,(H,13,14)
InChIKeyPEIBVXZEGCAWMV-UHFFFAOYSA-N
XLogP2.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-8-oxo-5-propan-2-ylsulfanyl-2H-cyclohepta[c]pyrazole-3-carboxylate
CID 123812484
methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
CID 74890533
methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate
CID 168652236
methyl 7-methoxy-4-nitro-2H-indazole-3-carboxylate
CID 71811115
methyl 6-acetyl-4-chloro-7-phenyl-2H-indazole-3-carboxylate
CID 129097660
methyl 7-(aminomethyl)-2H-indazole-3-carboxylate
CID 84778319
5-methoxy-7-methyl-2H-indazole-3-carboxylic acid
CID 24729297
methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
CID 168514912
methyl 2H-benzo[g]indazole-3-carboxylate
CID 141005512
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
CID 116880350
methyl 3,4-dimethyl-1H-indole-2-carboxylate
CID 151780672

Frequently Asked Questions

What is the IUPAC name of methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate?
The IUPAC name of methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate (CID 59728955) is methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate.
What is the SMILES notation for methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate?
The canonical SMILES for methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate is COC(=O)c1[nH]nc2c(C)cc(C)c(C)c12.
What is the InChIKey of methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate?
The InChIKey is PEIBVXZEGCAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-6-5-7(2)10-9(8(6)3)11(14-13-10)12(15)16-4/h5H,1-4H3,(H,13,14).
What are the key properties of methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate?
methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,7-trimethyl-2H-indazole-3-carboxylate is sourced from PubChem (CID 59728955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).