4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol

C15H21N3O2 — CID 78963860

IUPAC4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3O2/c1-10-14(11(2)18(3)17-10)9-16-8-12-7-13(20-4)5-6-15(12)19/h5-7,16,19H,8-9H2,1-4H3
InChIKeyMGRLTCVMTIVDIO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds5

About 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol

4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol (PubChem CID 78963860) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
PubChem CID78963860
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3O2/c1-10-14(11(2)18(3)17-10)9-16-8-12-7-13(20-4)5-6-15(12)19/h5-7,16,19H,8-9H2,1-4H3
InChIKeyMGRLTCVMTIVDIO-UHFFFAOYSA-N
XLogP2.04
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol (CID 78963860) is 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol is COc1ccc(O)c(CNCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
The InChIKey is MGRLTCVMTIVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-14(11(2)18(3)17-10)9-16-8-12-7-13(20-4)5-6-15(12)19/h5-7,16,19H,8-9H2,1-4H3.
What are the key properties of 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 78963860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).