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

C9H10BrN3O — CID 24841367

IUPAC4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide
SMILESBr.Nc1[nH]ncc1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O.BrH/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6;/h1-5,13H,(H3,10,11,12);1H
InChIKeyORPLAGPVXLKOMU-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.94
Rot. Bonds1

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

4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide (PubChem CID 24841367) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide
PubChem CID24841367
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide
SMILESBr.Nc1[nH]ncc1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O.BrH/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6;/h1-5,13H,(H3,10,11,12);1H
InChIKeyORPLAGPVXLKOMU-UHFFFAOYSA-N
XLogP1.94
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.94
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;hydrobromide?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide (CID 24841367) is 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide is Br.Nc1[nH]ncc1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide?
The InChIKey is ORPLAGPVXLKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.BrH/c10-9-8(5-11-12-9)6-1-3-7(13)4-2-6;/h1-5,13H,(H3,10,11,12);1H.
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide?
4-(5-amino-1H-pyrazol-4-yl)phenol;hydrobromide has a molecular weight of 256.10 g/mol, XLogP of 1.94, 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;hydrobromide is sourced from PubChem (CID 24841367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).