3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol

C9H9ClN2O — CID 84667219

IUPAC3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol
SMILESOc1cccc(C2CC(Cl)=NN2)c1
InChIInChI=1S/C9H9ClN2O/c10-9-5-8(11-12-9)6-2-1-3-7(13)4-6/h1-4,8,11,13H,5H2
InChIKeyUOYSMRNSJBJGCX-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.98
Rot. Bonds1

About 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol

3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol (PubChem CID 84667219) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol
PubChem CID84667219
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol
SMILESOc1cccc(C2CC(Cl)=NN2)c1
InChIInChI=1S/C9H9ClN2O/c10-9-5-8(11-12-9)6-2-1-3-7(13)4-6/h1-4,8,11,13H,5H2
InChIKeyUOYSMRNSJBJGCX-UHFFFAOYSA-N
XLogP1.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The IUPAC name of 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol (CID 84667219) is 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol is Oc1cccc(C2CC(Cl)=NN2)c1.
What is the InChIKey of 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol?
The InChIKey is UOYSMRNSJBJGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-9-5-8(11-12-9)6-2-1-3-7(13)4-6/h1-4,8,11,13H,5H2.
What are the key properties of 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol?
3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol has a molecular weight of 196.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 84667219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).