[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol

C14H19N3O2 — CID 54881622

IUPAC[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2ccn[nH]2)cc1CO
InChIInChI=1S/C14H19N3O2/c1-3-19-14-5-4-12(8-11(14)9-18)16-10(2)13-6-7-15-17-13/h4-8,10,16,18H,3,9H2,1-2H3,(H,15,17)
InChIKeyWOCTWXIVEVSGRL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.47
Rot. Bonds6

About [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol

[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol (PubChem CID 54881622) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
PubChem CID54881622
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2ccn[nH]2)cc1CO
InChIInChI=1S/C14H19N3O2/c1-3-19-14-5-4-12(8-11(14)9-18)16-10(2)13-6-7-15-17-13/h4-8,10,16,18H,3,9H2,1-2H3,(H,15,17)
InChIKeyWOCTWXIVEVSGRL-UHFFFAOYSA-N
XLogP2.47
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881496
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
CID 60980205
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
CID 60980477
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71990932
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
CID 54881785
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
CID 110902815
3-iodo-4-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972545

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol (CID 54881622) is [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol is CCOc1ccc(NC(C)c2ccn[nH]2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol?
The InChIKey is WOCTWXIVEVSGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-19-14-5-4-12(8-11(14)9-18)16-10(2)13-6-7-15-17-13/h4-8,10,16,18H,3,9H2,1-2H3,(H,15,17).
What are the key properties of [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol?
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol has a molecular weight of 261.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 54881622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).