1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

C15H20FN3 — CID 65191944

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-11(15-10-19(3)18-12(15)2)17-9-8-13-4-6-14(16)7-5-13/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyAODLFUFCCKZBSM-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.76
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (PubChem CID 65191944) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
PubChem CID65191944
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-11(15-10-19(3)18-12(15)2)17-9-8-13-4-6-14(16)7-5-13/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyAODLFUFCCKZBSM-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-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 65197319
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (CID 65191944) is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is Cc1nn(C)cc1C(C)NCCc1ccc(F)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The InChIKey is AODLFUFCCKZBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(15-10-19(3)18-12(15)2)17-9-8-13-4-6-14(16)7-5-13/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)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-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 65191944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).