ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate

C19H24N4O3 — CID 156825979

IUPACethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(O)c2ccc(N3CC4CC4C3)nc2C)nn1C
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)16-8-15(21-22(16)3)18(24)14-5-6-17(20-11(14)2)23-9-12-7-13(12)10-23/h5-6,8,12-13,18,24H,4,7,9-10H2,1-3H3
InChIKeyPMAOIKXMMGZSJP-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.84
Rot. Bonds5

About ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate

ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate (PubChem CID 156825979) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate
PubChem CID156825979
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(O)c2ccc(N3CC4CC4C3)nc2C)nn1C
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)16-8-15(21-22(16)3)18(24)14-5-6-17(20-11(14)2)23-9-12-7-13(12)10-23/h5-6,8,12-13,18,24H,4,7,9-10H2,1-3H3
InChIKeyPMAOIKXMMGZSJP-UHFFFAOYSA-N
XLogP1.84
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate (CID 156825979) is ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate is CCOC(=O)c1cc(C(O)c2ccc(N3CC4CC4C3)nc2C)nn1C.
What is the InChIKey of ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is PMAOIKXMMGZSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-26-19(25)16-8-15(21-22(16)3)18(24)14-5-6-17(20-11(14)2)23-9-12-7-13(12)10-23/h5-6,8,12-13,18,24H,4,7,9-10H2,1-3H3.
What are the key properties of ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate?
ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-hydroxymethyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 156825979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).