2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol

C17H19N3O — CID 135604582

IUPAC2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCN(C)c1ccc(C2CC(c3ccccc3O)=NN2)cc1
InChIInChI=1S/C17H19N3O/c1-20(2)13-9-7-12(8-10-13)15-11-16(19-18-15)14-5-3-4-6-17(14)21/h3-10,15,18,21H,11H2,1-2H3
InChIKeyTWXUXLYMLONNDA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.90
Rot. Bonds3

About 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol

2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 135604582) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID135604582
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCN(C)c1ccc(C2CC(c3ccccc3O)=NN2)cc1
InChIInChI=1S/C17H19N3O/c1-20(2)13-9-7-12(8-10-13)15-11-16(19-18-15)14-5-3-4-6-17(14)21/h3-10,15,18,21H,11H2,1-2H3
InChIKeyTWXUXLYMLONNDA-UHFFFAOYSA-N
XLogP2.90
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 135604582) is 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol is CN(C)c1ccc(C2CC(c3ccccc3O)=NN2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is TWXUXLYMLONNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20(2)13-9-7-12(8-10-13)15-11-16(19-18-15)14-5-3-4-6-17(14)21/h3-10,15,18,21H,11H2,1-2H3.
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 281.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135604582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).