[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol

C13H17N3O2 — CID 66012110

IUPAC[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol
SMILESCCn1nc(C)c(N)c1Oc1ccccc1CO
InChIInChI=1S/C13H17N3O2/c1-3-16-13(12(14)9(2)15-16)18-11-7-5-4-6-10(11)8-17/h4-7,17H,3,8,14H2,1-2H3
InChIKeyQAZBAJGCPPTTPU-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.08
Rot. Bonds4

About [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol

[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol (PubChem CID 66012110) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol
PubChem CID66012110
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol
SMILESCCn1nc(C)c(N)c1Oc1ccccc1CO
InChIInChI=1S/C13H17N3O2/c1-3-16-13(12(14)9(2)15-16)18-11-7-5-4-6-10(11)8-17/h4-7,17H,3,8,14H2,1-2H3
InChIKeyQAZBAJGCPPTTPU-UHFFFAOYSA-N
XLogP2.08
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol?
The IUPAC name of [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol (CID 66012110) is [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol is CCn1nc(C)c(N)c1Oc1ccccc1CO.
What is the InChIKey of [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol?
The InChIKey is QAZBAJGCPPTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-16-13(12(14)9(2)15-16)18-11-7-5-4-6-10(11)8-17/h4-7,17H,3,8,14H2,1-2H3.
What are the key properties of [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol?
[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol has a molecular weight of 247.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol is sourced from PubChem (CID 66012110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).