(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol

C12H15N3O2 — CID 65362475

IUPAC(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1cn[nH]c1N
InChIInChI=1S/C12H15N3O2/c1-2-17-10-6-4-3-5-8(10)11(16)9-7-14-15-12(9)13/h3-7,11,16H,2H2,1H3,(H3,13,14,15)
InChIKeyOSISATRYPIUTQZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds4

About (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol

(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol (PubChem CID 65362475) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
PubChem CID65362475
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1cn[nH]c1N
InChIInChI=1S/C12H15N3O2/c1-2-17-10-6-4-3-5-8(10)11(16)9-7-14-15-12(9)13/h3-7,11,16H,2H2,1H3,(H3,13,14,15)
InChIKeyOSISATRYPIUTQZ-UHFFFAOYSA-N
XLogP1.47
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol (CID 65362475) is (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol is CCOc1ccccc1C(O)c1cn[nH]c1N.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol?
The InChIKey is OSISATRYPIUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-17-10-6-4-3-5-8(10)11(16)9-7-14-15-12(9)13/h3-7,11,16H,2H2,1H3,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol?
(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol has a molecular weight of 233.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 65362475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).