2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol

C15H21N3O2 — CID 122168170

IUPAC2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
SMILESCCCn1ccc(CNCc2ccc(O)c(OC)c2)n1
InChIInChI=1S/C15H21N3O2/c1-3-7-18-8-6-13(17-18)11-16-10-12-4-5-14(19)15(9-12)20-2/h4-6,8-9,16,19H,3,7,10-11H2,1-2H3
InChIKeyAMWIYKWYIWSVFV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.30
Rot. Bonds7

About 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol

2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol (PubChem CID 122168170) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
PubChem CID122168170
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
SMILESCCCn1ccc(CNCc2ccc(O)c(OC)c2)n1
InChIInChI=1S/C15H21N3O2/c1-3-7-18-8-6-13(17-18)11-16-10-12-4-5-14(19)15(9-12)20-2/h4-6,8-9,16,19H,3,7,10-11H2,1-2H3
InChIKeyAMWIYKWYIWSVFV-UHFFFAOYSA-N
XLogP2.30
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
CID 19627503
2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
CID 126966828
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride
CID 126964545
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
CID 19626016
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol (CID 122168170) is 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol is CCCn1ccc(CNCc2ccc(O)c(OC)c2)n1.
What is the InChIKey of 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol?
The InChIKey is AMWIYKWYIWSVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-7-18-8-6-13(17-18)11-16-10-12-4-5-14(19)15(9-12)20-2/h4-6,8-9,16,19H,3,7,10-11H2,1-2H3.
What are the key properties of 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol?
2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 122168170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).