4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C19H22N4O2 — CID 38050493

IUPAC4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ncccc1CNCc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H22N4O2/c1-14-17(13-20-12-15-8-7-11-21-18(15)25-3)19(24)23(22(14)2)16-9-5-4-6-10-16/h4-11,20H,12-13H2,1-3H3
InChIKeyGTFPMRXZHHAELH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.18
Rot. Bonds6

About 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 38050493) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID38050493
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ncccc1CNCc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H22N4O2/c1-14-17(13-20-12-15-8-7-11-21-18(15)25-3)19(24)23(22(14)2)16-9-5-4-6-10-16/h4-11,20H,12-13H2,1-3H3
InChIKeyGTFPMRXZHHAELH-UHFFFAOYSA-N
XLogP2.18
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 38050493) is 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1ncccc1CNCc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is GTFPMRXZHHAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-17(13-20-12-15-8-7-11-21-18(15)25-3)19(24)23(22(14)2)16-9-5-4-6-10-16/h4-11,20H,12-13H2,1-3H3.
What are the key properties of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 338.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 38050493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).