1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride

C12H15ClFN3 — CID 154896679

IUPAC1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
SMILESCc1c(C(C)N)cnn1-c1cccc(F)c1.Cl
InChIInChI=1S/C12H14FN3.ClH/c1-8(14)12-7-15-16(9(12)2)11-5-3-4-10(13)6-11;/h3-8H,14H2,1-2H3;1H
InChIKeyQXEAIVSXMVRTFO-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.76
Rot. Bonds2

About 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride

1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride (PubChem CID 154896679) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
PubChem CID154896679
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
SMILESCc1c(C(C)N)cnn1-c1cccc(F)c1.Cl
InChIInChI=1S/C12H14FN3.ClH/c1-8(14)12-7-15-16(9(12)2)11-5-3-4-10(13)6-11;/h3-8H,14H2,1-2H3;1H
InChIKeyQXEAIVSXMVRTFO-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,4-dithiepan-6-amine
CID 42396097
1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide
CID 82528370
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 45215486
(1S)-N-[(2,5-dimethylphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25299151
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25364114
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 25296947
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45219984
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45231274

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride (CID 154896679) is 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride is Cc1c(C(C)N)cnn1-c1cccc(F)c1.Cl.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride?
The InChIKey is QXEAIVSXMVRTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3.ClH/c1-8(14)12-7-15-16(9(12)2)11-5-3-4-10(13)6-11;/h3-8H,14H2,1-2H3;1H.
What are the key properties of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride?
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride has a molecular weight of 255.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 154896679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).