4-(5-amino-4-chloropyrazol-1-yl)phenol

C9H8ClN3O — CID 112711594

IUPAC4-(5-amino-4-chloropyrazol-1-yl)phenol
SMILESNc1c(Cl)cnn1-c1ccc(O)cc1
InChIInChI=1S/C9H8ClN3O/c10-8-5-12-13(9(8)11)6-1-3-7(14)4-2-6/h1-5,14H,11H2
InChIKeyQDEBNWALLVVZLT-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.81
Rot. Bonds1

About 4-(5-amino-4-chloropyrazol-1-yl)phenol

4-(5-amino-4-chloropyrazol-1-yl)phenol (PubChem CID 112711594) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(5-amino-4-chloropyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-4-chloropyrazol-1-yl)phenol
PubChem CID112711594
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(5-amino-4-chloropyrazol-1-yl)phenol
SMILESNc1c(Cl)cnn1-c1ccc(O)cc1
InChIInChI=1S/C9H8ClN3O/c10-8-5-12-13(9(8)11)6-1-3-7(14)4-2-6/h1-5,14H,11H2
InChIKeyQDEBNWALLVVZLT-UHFFFAOYSA-N
XLogP1.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-chloropyrazol-1-yl)phenol?
The IUPAC name of 4-(5-amino-4-chloropyrazol-1-yl)phenol (CID 112711594) is 4-(5-amino-4-chloropyrazol-1-yl)phenol.
What is the SMILES notation for 4-(5-amino-4-chloropyrazol-1-yl)phenol?
The canonical SMILES for 4-(5-amino-4-chloropyrazol-1-yl)phenol is Nc1c(Cl)cnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-amino-4-chloropyrazol-1-yl)phenol?
The InChIKey is QDEBNWALLVVZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-8-5-12-13(9(8)11)6-1-3-7(14)4-2-6/h1-5,14H,11H2.
What are the key properties of 4-(5-amino-4-chloropyrazol-1-yl)phenol?
4-(5-amino-4-chloropyrazol-1-yl)phenol has a molecular weight of 209.64 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-chloropyrazol-1-yl)phenol is sourced from PubChem (CID 112711594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).