2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol

C19H21N3O2 — CID 110928739

IUPAC2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
SMILESCc1ccccc1-c1cc(NCc2ccccc2O)n(CCO)n1
InChIInChI=1S/C19H21N3O2/c1-14-6-2-4-8-16(14)17-12-19(22(21-17)10-11-23)20-13-15-7-3-5-9-18(15)24/h2-9,12,20,23-24H,10-11,13H2,1H3
InChIKeyGVQFGNLRTCEXIC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.17
Rot. Bonds6

About 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol

2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol (PubChem CID 110928739) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
PubChem CID110928739
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
SMILESCc1ccccc1-c1cc(NCc2ccccc2O)n(CCO)n1
InChIInChI=1S/C19H21N3O2/c1-14-6-2-4-8-16(14)17-12-19(22(21-17)10-11-23)20-13-15-7-3-5-9-18(15)24/h2-9,12,20,23-24H,10-11,13H2,1H3
InChIKeyGVQFGNLRTCEXIC-UHFFFAOYSA-N
XLogP3.17
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol (CID 110928739) is 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol is Cc1ccccc1-c1cc(NCc2ccccc2O)n(CCO)n1.
What is the InChIKey of 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol?
The InChIKey is GVQFGNLRTCEXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-6-2-4-8-16(14)17-12-19(22(21-17)10-11-23)20-13-15-7-3-5-9-18(15)24/h2-9,12,20,23-24H,10-11,13H2,1H3.
What are the key properties of 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol?
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol has a molecular weight of 323.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol is sourced from PubChem (CID 110928739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).