4-(5-amino-3-ethylpyrazol-1-yl)phenol

C11H13N3O — CID 21432537

IUPAC4-(5-amino-3-ethylpyrazol-1-yl)phenol
SMILESCCc1cc(N)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3O/c1-2-8-7-11(12)14(13-8)9-3-5-10(15)6-4-9/h3-7,15H,2,12H2,1H3
InChIKeyADONBSKVMUYMEH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.72
Rot. Bonds2

About 4-(5-amino-3-ethylpyrazol-1-yl)phenol

4-(5-amino-3-ethylpyrazol-1-yl)phenol (PubChem CID 21432537) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(5-amino-3-ethylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-3-ethylpyrazol-1-yl)phenol
PubChem CID21432537
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(5-amino-3-ethylpyrazol-1-yl)phenol
SMILESCCc1cc(N)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3O/c1-2-8-7-11(12)14(13-8)9-3-5-10(15)6-4-9/h3-7,15H,2,12H2,1H3
InChIKeyADONBSKVMUYMEH-UHFFFAOYSA-N
XLogP1.72
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-ethylpyrazol-1-yl)phenol?
The IUPAC name of 4-(5-amino-3-ethylpyrazol-1-yl)phenol (CID 21432537) is 4-(5-amino-3-ethylpyrazol-1-yl)phenol.
What is the SMILES notation for 4-(5-amino-3-ethylpyrazol-1-yl)phenol?
The canonical SMILES for 4-(5-amino-3-ethylpyrazol-1-yl)phenol is CCc1cc(N)n(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(5-amino-3-ethylpyrazol-1-yl)phenol?
The InChIKey is ADONBSKVMUYMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-8-7-11(12)14(13-8)9-3-5-10(15)6-4-9/h3-7,15H,2,12H2,1H3.
What are the key properties of 4-(5-amino-3-ethylpyrazol-1-yl)phenol?
4-(5-amino-3-ethylpyrazol-1-yl)phenol has a molecular weight of 203.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-ethylpyrazol-1-yl)phenol is sourced from PubChem (CID 21432537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).