2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol

C12H15N3O2 — CID 115039461

IUPAC2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol
SMILESNCc1cnn(CC(O)c2ccccc2O)c1
InChIInChI=1S/C12H15N3O2/c13-5-9-6-14-15(7-9)8-12(17)10-3-1-2-4-11(10)16/h1-4,6-7,12,16-17H,5,8,13H2
InChIKeyLPHHTXJANWFXJK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.78
Rot. Bonds4

About 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol

2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol (PubChem CID 115039461) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol
PubChem CID115039461
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol
SMILESNCc1cnn(CC(O)c2ccccc2O)c1
InChIInChI=1S/C12H15N3O2/c13-5-9-6-14-15(7-9)8-12(17)10-3-1-2-4-11(10)16/h1-4,6-7,12,16-17H,5,8,13H2
InChIKeyLPHHTXJANWFXJK-UHFFFAOYSA-N
XLogP0.78
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 146194080
(1S)-2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 125041793
1-(2-bromophenyl)-2-(4-chloropyrazol-1-yl)ethanol
CID 84590338
2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
CID 109411732
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
2-(1-amino-2-pyrazol-1-ylethyl)phenol
CID 16641636
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
2-amino-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 82407041
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol
CID 43531433
3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
CID 115031261
[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
CID 63253968

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol?
The IUPAC name of 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol (CID 115039461) is 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol.
What is the SMILES notation for 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol?
The canonical SMILES for 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol is NCc1cnn(CC(O)c2ccccc2O)c1.
What is the InChIKey of 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol?
The InChIKey is LPHHTXJANWFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-5-9-6-14-15(7-9)8-12(17)10-3-1-2-4-11(10)16/h1-4,6-7,12,16-17H,5,8,13H2.
What are the key properties of 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol?
2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol is sourced from PubChem (CID 115039461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).