2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol

C13H17N3O2 — CID 61284476

IUPAC2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
SMILESCOc1cc(C(C)NCc2ccn[nH]2)ccc1O
InChIInChI=1S/C13H17N3O2/c1-9(14-8-11-5-6-15-16-11)10-3-4-12(17)13(7-10)18-2/h3-7,9,14,17H,8H2,1-2H3,(H,15,16)
InChIKeyLDBZUUKUDCJPFM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.97
Rot. Bonds5

About 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol

2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol (PubChem CID 61284476) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
PubChem CID61284476
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
SMILESCOc1cc(C(C)NCc2ccn[nH]2)ccc1O
InChIInChI=1S/C13H17N3O2/c1-9(14-8-11-5-6-15-16-11)10-3-4-12(17)13(7-10)18-2/h3-7,9,14,17H,8H2,1-2H3,(H,15,16)
InChIKeyLDBZUUKUDCJPFM-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

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110162
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084955
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]-2-methoxyphenol
CID 61016537
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54895413
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol (CID 61284476) is 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol is COc1cc(C(C)NCc2ccn[nH]2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol?
The InChIKey is LDBZUUKUDCJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(14-8-11-5-6-15-16-11)10-3-4-12(17)13(7-10)18-2/h3-7,9,14,17H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol?
2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]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 2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 61284476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).