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

C13H17ClFN3O — CID 170892804

IUPAC2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
SMILESCc1c(CC(N)CO)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C13H16FN3O.ClH/c1-9-10(6-12(15)8-18)7-16-17(9)13-4-2-11(14)3-5-13;/h2-5,7,12,18H,6,8,15H2,1H3;1H
InChIKeyUEIAPOGNSQEWAK-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.60
Rot. Bonds4

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

2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride (PubChem CID 170892804) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
PubChem CID170892804
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
SMILESCc1c(CC(N)CO)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C13H16FN3O.ClH/c1-9-10(6-12(15)8-18)7-16-17(9)13-4-2-11(14)3-5-13;/h2-5,7,12,18H,6,8,15H2,1H3;1H
InChIKeyUEIAPOGNSQEWAK-UHFFFAOYSA-N
XLogP1.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892802
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170879426
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471
1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
CID 165453860
[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 115068469
1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide
CID 97066461
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170882074
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
CID 70099503

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride (CID 170892804) is 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride is Cc1c(CC(N)CO)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
The InChIKey is UEIAPOGNSQEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O.ClH/c1-9-10(6-12(15)8-18)7-16-17(9)13-4-2-11(14)3-5-13;/h2-5,7,12,18H,6,8,15H2,1H3;1H.
What are the key properties of 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride?
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride has a molecular weight of 285.75 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).