2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride

C14H20ClN3O2 — CID 170892802

IUPAC2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
SMILESCOc1ccc(-n2ncc(CC(N)CO)c2C)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-11(7-12(15)9-18)8-16-17(10)13-3-5-14(19-2)6-4-13;/h3-6,8,12,18H,7,9,15H2,1-2H3;1H
InChIKeyQFDLRGZBUVEVKW-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride

2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride (PubChem CID 170892802) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
PubChem CID170892802
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
SMILESCOc1ccc(-n2ncc(CC(N)CO)c2C)cc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-11(7-12(15)9-18)8-16-17(10)13-3-5-14(19-2)6-4-13;/h3-6,8,12,18H,7,9,15H2,1-2H3;1H
InChIKeyQFDLRGZBUVEVKW-UHFFFAOYSA-N
XLogP1.47
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanol
CID 105490895
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
CID 170894623
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
CID 115069112
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170879426
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride (CID 170892802) is 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride is COc1ccc(-n2ncc(CC(N)CO)c2C)cc1.Cl.
What is the InChIKey of 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
The InChIKey is QFDLRGZBUVEVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10-11(7-12(15)9-18)8-16-17(10)13-3-5-14(19-2)6-4-13;/h3-6,8,12,18H,7,9,15H2,1-2H3;1H.
What are the key properties of 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).