2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol

C12H15N3O — CID 136758054

IUPAC2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
SMILESCNCc1cnn(C)c1-c1ccccc1O
InChIInChI=1S/C12H15N3O/c1-13-7-9-8-14-15(2)12(9)10-5-3-4-6-11(10)16/h3-6,8,13,16H,7H2,1-2H3
InChIKeyRGEOKQMUFSXDQJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.51
Rot. Bonds3

About 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol

2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol (PubChem CID 136758054) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
PubChem CID136758054
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
SMILESCNCc1cnn(C)c1-c1ccccc1O
InChIInChI=1S/C12H15N3O/c1-13-7-9-8-14-15(2)12(9)10-5-3-4-6-11(10)16/h3-6,8,13,16H,7H2,1-2H3
InChIKeyRGEOKQMUFSXDQJ-UHFFFAOYSA-N
XLogP1.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
CID 136758061
2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 136934476
2-(4-isocyanato-1-methylpyrazol-5-yl)phenol
CID 136934483
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
2-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676420
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
[2-[2-(methylaminomethyl)phenyl]phenyl]methanol
CID 70630718
1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine
CID 84729187
N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
CID 62489827
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79578493
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(1-benzyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
CID 66441097

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
The IUPAC name of 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol (CID 136758054) is 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol is CNCc1cnn(C)c1-c1ccccc1O.
What is the InChIKey of 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
The InChIKey is RGEOKQMUFSXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-7-9-8-14-15(2)12(9)10-5-3-4-6-11(10)16/h3-6,8,13,16H,7H2,1-2H3.
What are the key properties of 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 136758054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).