4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol

C13H17N3O2 — CID 103923964

IUPAC4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)c2cn[nH]c2)c1
InChIInChI=1S/C13H17N3O2/c1-9(11-7-15-16-8-11)14-6-10-5-12(18-2)3-4-13(10)17/h3-5,7-9,14,17H,6H2,1-2H3,(H,15,16)
InChIKeyAVERPQRYTUTPMX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.97
Rot. Bonds5

About 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol

4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol (PubChem CID 103923964) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
PubChem CID103923964
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)c2cn[nH]c2)c1
InChIInChI=1S/C13H17N3O2/c1-9(11-7-15-16-8-11)14-6-10-5-12(18-2)3-4-13(10)17/h3-5,7-9,14,17H,6H2,1-2H3,(H,15,16)
InChIKeyAVERPQRYTUTPMX-UHFFFAOYSA-N
XLogP1.97
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
6-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol
CID 103855082
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
2,4-dichloro-6-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103854969
N-[(2,5-difluorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854966
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-4-methoxyphenol
CID 43737388
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol (CID 103923964) is 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol is COc1ccc(O)c(CNC(C)c2cn[nH]c2)c1.
What is the InChIKey of 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol?
The InChIKey is AVERPQRYTUTPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(11-7-15-16-8-11)14-6-10-5-12(18-2)3-4-13(10)17/h3-5,7-9,14,17H,6H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol?
4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol has a molecular weight of 247.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103923964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).