1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine

C15H20FN3 — CID 80682464

IUPAC1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2cnn(C)c2)cc1F
InChIInChI=1S/C15H20FN3/c1-11-4-5-14(8-15(11)16)12(2)17-7-6-13-9-18-19(3)10-13/h4-5,8-10,12,17H,6-7H2,1-3H3
InChIKeyZCJCZCYAVYORMF-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine

1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 80682464) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
PubChem CID80682464
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCc2cnn(C)c2)cc1F
InChIInChI=1S/C15H20FN3/c1-11-4-5-14(8-15(11)16)12(2)17-7-6-13-9-18-19(3)10-13/h4-5,8-10,12,17H,6-7H2,1-3H3
InChIKeyZCJCZCYAVYORMF-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
1-(4-chloro-3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 82994452
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80683784
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 80682119
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(2-bromo-4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103778176
[4-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]urea
CID 80685837
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80682342

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine (CID 80682464) is 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCc2cnn(C)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is ZCJCZCYAVYORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11-4-5-14(8-15(11)16)12(2)17-7-6-13-9-18-19(3)10-13/h4-5,8-10,12,17H,6-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 80682464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).