2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol

C14H19N3O3 — CID 110928974

IUPAC2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCOc1cc(CNc2cnn(CCO)c2)cc(OC)c1
InChIInChI=1S/C14H19N3O3/c1-19-13-5-11(6-14(7-13)20-2)8-15-12-9-16-17(10-12)3-4-18/h5-7,9-10,15,18H,3-4,8H2,1-2H3
InChIKeyJHRSPRWZONCVNM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds7

About 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928974) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
PubChem CID110928974
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCOc1cc(CNc2cnn(CCO)c2)cc(OC)c1
InChIInChI=1S/C14H19N3O3/c1-19-13-5-11(6-14(7-13)20-2)8-15-12-9-16-17(10-12)3-4-18/h5-7,9-10,15,18H,3-4,8H2,1-2H3
InChIKeyJHRSPRWZONCVNM-UHFFFAOYSA-N
XLogP1.50
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625831
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzene-1,2-dicarbonitrile
CID 107788176
2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
CID 110928800
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol (CID 110928974) is 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol is COc1cc(CNc2cnn(CCO)c2)cc(OC)c1.
What is the InChIKey of 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is JHRSPRWZONCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-13-5-11(6-14(7-13)20-2)8-15-12-9-16-17(10-12)3-4-18/h5-7,9-10,15,18H,3-4,8H2,1-2H3.
What are the key properties of 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 277.32 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).