2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol

C12H15N3O2 — CID 43743858

IUPAC2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol
SMILESCOc1ccc(NCc2ccnn2C)cc1O
InChIInChI=1S/C12H15N3O2/c1-15-10(5-6-14-15)8-13-9-3-4-12(17-2)11(16)7-9/h3-7,13,16H,8H2,1-2H3
InChIKeyXUFFAWIMVAOXHY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.75
Rot. Bonds4

About 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol

2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol (PubChem CID 43743858) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol
PubChem CID43743858
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol
SMILESCOc1ccc(NCc2ccnn2C)cc1O
InChIInChI=1S/C12H15N3O2/c1-15-10(5-6-14-15)8-13-9-3-4-12(17-2)11(16)7-9/h3-7,13,16H,8H2,1-2H3
InChIKeyXUFFAWIMVAOXHY-UHFFFAOYSA-N
XLogP1.75
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
5-(ethylamino)-2-methoxyphenol
CID 43743866
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
CID 43743697
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709
N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43663156

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol?
The IUPAC name of 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol (CID 43743858) is 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol.
What is the SMILES notation for 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol?
The canonical SMILES for 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol is COc1ccc(NCc2ccnn2C)cc1O.
What is the InChIKey of 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol?
The InChIKey is XUFFAWIMVAOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10(5-6-14-15)8-13-9-3-4-12(17-2)11(16)7-9/h3-7,13,16H,8H2,1-2H3.
What are the key properties of 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol?
2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol is sourced from PubChem (CID 43743858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).