1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

C15H19F2N3 — CID 103924707

IUPAC1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2cccc(F)c2F)cnn1C
InChIInChI=1S/C15H19F2N3/c1-9(12-6-5-7-14(16)15(12)17)19-10(2)13-8-18-20(4)11(13)3/h5-10,19H,1-4H3
InChIKeyHXMLDIDEOSZMNU-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 103924707) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
PubChem CID103924707
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2cccc(F)c2F)cnn1C
InChIInChI=1S/C15H19F2N3/c1-9(12-6-5-7-14(16)15(12)17)19-10(2)13-8-18-20(4)11(13)3/h5-10,19H,1-4H3
InChIKeyHXMLDIDEOSZMNU-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105149342
1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230790
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43751923
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
CID 110011198
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (CID 103924707) is 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is Cc1c(C(C)NC(C)c2cccc(F)c2F)cnn1C.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is HXMLDIDEOSZMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-9(12-6-5-7-14(16)15(12)17)19-10(2)13-8-18-20(4)11(13)3/h5-10,19H,1-4H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 279.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103924707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).