2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride

C14H17ClF3N3O2 — CID 126966828

IUPAC2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
SMILESCOc1cc(CNCc2ccn(CC(F)(F)F)n2)ccc1O.Cl
InChIInChI=1S/C14H16F3N3O2.ClH/c1-22-13-6-10(2-3-12(13)21)7-18-8-11-4-5-20(19-11)9-14(15,16)17;/h2-6,18,21H,7-9H2,1H3;1H
InChIKeyDOQMYVQTERUISE-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.87
Rot. Bonds6

About 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride

2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride (PubChem CID 126966828) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
PubChem CID126966828
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC Name2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
SMILESCOc1cc(CNCc2ccn(CC(F)(F)F)n2)ccc1O.Cl
InChIInChI=1S/C14H16F3N3O2.ClH/c1-22-13-6-10(2-3-12(13)21)7-18-8-11-4-5-20(19-11)9-14(15,16)17;/h2-6,18,21H,7-9H2,1H3;1H
InChIKeyDOQMYVQTERUISE-UHFFFAOYSA-N
XLogP2.87
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
CID 19627503
2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
CID 122168170
N-[(3,5-difluorophenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122168020
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 132770062
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]butan-1-amine;hydrochloride
CID 126964213
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid
CID 82364245
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
CID 114093294

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride (CID 126966828) is 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride is COc1cc(CNCc2ccn(CC(F)(F)F)n2)ccc1O.Cl.
What is the InChIKey of 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride?
The InChIKey is DOQMYVQTERUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2.ClH/c1-22-13-6-10(2-3-12(13)21)7-18-8-11-4-5-20(19-11)9-14(15,16)17;/h2-6,18,21H,7-9H2,1H3;1H.
What are the key properties of 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride?
2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride has a molecular weight of 351.76 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 126966828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).