1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol

C12H15N3O — CID 43531433

IUPAC1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol
SMILESNCc1ccc(C(O)Cn2cccn2)cc1
InChIInChI=1S/C12H15N3O/c13-8-10-2-4-11(5-3-10)12(16)9-15-7-1-6-14-15/h1-7,12,16H,8-9,13H2
InChIKeyQGRVBBHPNQUUGO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.08
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol

1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol (PubChem CID 43531433) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol
PubChem CID43531433
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol
SMILESNCc1ccc(C(O)Cn2cccn2)cc1
InChIInChI=1S/C12H15N3O/c13-8-10-2-4-11(5-3-10)12(16)9-15-7-1-6-14-15/h1-7,12,16H,8-9,13H2
InChIKeyQGRVBBHPNQUUGO-UHFFFAOYSA-N
XLogP1.08
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 81090478
1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
CID 43531451
2-(1-amino-2-pyrazol-1-ylethyl)phenol
CID 16641636
N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 81089925
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
CID 176952887
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol (CID 43531433) is 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol is NCc1ccc(C(O)Cn2cccn2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol?
The InChIKey is QGRVBBHPNQUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-10-2-4-11(5-3-10)12(16)9-15-7-1-6-14-15/h1-7,12,16H,8-9,13H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol?
1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol has a molecular weight of 217.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol is sourced from PubChem (CID 43531433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).