2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol

C9H9ClN2O — CID 84667221

IUPAC2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol
SMILESOc1ccccc1N1CCC(Cl)=N1
InChIInChI=1S/C9H9ClN2O/c10-9-5-6-12(11-9)7-3-1-2-4-8(7)13/h1-4,13H,5-6H2
InChIKeyVIDVASIVTJKQCU-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.15
Rot. Bonds1

About 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol

2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol (PubChem CID 84667221) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol
PubChem CID84667221
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol
SMILESOc1ccccc1N1CCC(Cl)=N1
InChIInChI=1S/C9H9ClN2O/c10-9-5-6-12(11-9)7-3-1-2-4-8(7)13/h1-4,13H,5-6H2
InChIKeyVIDVASIVTJKQCU-UHFFFAOYSA-N
XLogP2.15
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidin-1-yl)phenol
CID 2734845
2-(2-Imino-pyrrolidin-1-yl)-phenol
CID 16681792
2-Diethylaminophenol
CID 118832
2-[Methyl(nitroso)amino]phenol
CID 10654399
Allyl-(2-hydroxy-phenyl)-dimethyl-ammonium; bromide
CID 9816574
2-(Dimethylamino)phenol hydrochloride
CID 23618476
o-Hydroxyphenylpyrazoline
CID 129793470
But-3-enyl-(2-hydroxy-phenyl)-dimethyl-ammonium; bromide
CID 44301499
2-(2-Iminopyrrolidin-1-yl)phenol chloride
CID 53351090
2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)phenol;chloride
CID 44658476
3H-Pyrazol-3-one, 2,4-dihydro-2-(2-hydroxyphenyl)-5-methyl-
CID 10307917
2-(Dibutylamino)phenol
CID 12388958

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol?
The IUPAC name of 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol (CID 84667221) is 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol.
What is the SMILES notation for 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol?
The canonical SMILES for 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol is Oc1ccccc1N1CCC(Cl)=N1.
What is the InChIKey of 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol?
The InChIKey is VIDVASIVTJKQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-9-5-6-12(11-9)7-3-1-2-4-8(7)13/h1-4,13H,5-6H2.
What are the key properties of 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol?
2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol has a molecular weight of 196.64 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydropyrazol-2-yl)phenol is sourced from PubChem (CID 84667221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).