2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride

C12H15ClFN3O — CID 164576523

IUPAC2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
SMILESCl.NCCOc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H14FN3O.ClH/c13-11-3-1-2-10(6-11)8-16-9-12(7-15-16)17-5-4-14;/h1-3,6-7,9H,4-5,8,14H2;1H
InChIKeySLOJIDLTDZSGFB-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride (PubChem CID 164576523) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
PubChem CID164576523
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
SMILESCl.NCCOc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H14FN3O.ClH/c13-11-3-1-2-10(6-11)8-16-9-12(7-15-16)17-5-4-14;/h1-3,6-7,9H,4-5,8,14H2;1H
InChIKeySLOJIDLTDZSGFB-UHFFFAOYSA-N
XLogP1.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]oxyethanamine
CID 162788173
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
CID 164576545
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
2-[4-[(3-fluorophenyl)methoxy]pyrazol-1-yl]acetic acid
CID 117234298
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
CID 151784977
3-[(4-methoxypyrazol-1-yl)methyl]aniline
CID 138319963
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride (CID 164576523) is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride is Cl.NCCOc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride?
The InChIKey is SLOJIDLTDZSGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O.ClH/c13-11-3-1-2-10(6-11)8-16-9-12(7-15-16)17-5-4-14;/h1-3,6-7,9H,4-5,8,14H2;1H.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride?
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride has a molecular weight of 271.72 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride is sourced from PubChem (CID 164576523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).