2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol

C12H15N3O — CID 136758052

IUPAC2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol
SMILESCNCCc1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C12H15N3O/c1-13-7-6-9-8-14-15-12(9)10-4-2-3-5-11(10)16/h2-5,8,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyNCMJJUACQUXKAT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol

2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol (PubChem CID 136758052) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol
PubChem CID136758052
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol
SMILESCNCCc1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C12H15N3O/c1-13-7-6-9-8-14-15-12(9)10-4-2-3-5-11(10)16/h2-5,8,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyNCMJJUACQUXKAT-UHFFFAOYSA-N
XLogP1.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-pyridin-4-yl-1H-pyrazol-4-yl)ethanamine
CID 121213838
N-methyl-2-(5-pyrazin-2-yl-1H-pyrazol-4-yl)ethanamine
CID 121213840
N-[2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfonamide
CID 86302900
2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 104547624
5-(2-fluorophenyl)-1H-pyrazol-4-ol
CID 105437297
N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
CID 105439777
N-[[5-(2-iodophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485192
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
CID 886169
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 105438351
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485564
2-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol (CID 136758052) is 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol is CNCCc1cn[nH]c1-c1ccccc1O.
What is the InChIKey of 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is NCMJJUACQUXKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-7-6-9-8-14-15-12(9)10-4-2-3-5-11(10)16/h2-5,8,13,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol?
2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)ethyl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 136758052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).