4-(5-amino-1H-pyrazol-4-yl)phenol

C9H9N3O — CID 24841368

IUPAC4-(5-amino-1H-pyrazol-4-yl)phenol
SMILESNc1[nH]ncc1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12)
InChIKeyWRERTDQKTDJJIZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.36
Rot. Bonds1

About 4-(5-amino-1H-pyrazol-4-yl)phenol

4-(5-amino-1H-pyrazol-4-yl)phenol (PubChem CID 24841368) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)phenol
PubChem CID24841368
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)phenol
SMILESNc1[nH]ncc1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12)
InChIKeyWRERTDQKTDJJIZ-UHFFFAOYSA-N
XLogP1.36
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)phenol?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)phenol (CID 24841368) is 4-(5-amino-1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)phenol?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)phenol is Nc1[nH]ncc1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)phenol?
The InChIKey is WRERTDQKTDJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6/h1-5,13H,(H3,10,11,12).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)phenol?
4-(5-amino-1H-pyrazol-4-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 24841368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).