1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine

C18H23N5 — CID 154751737

IUPAC1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCn1cc(C(C)NCc2cccc(-c3cnn(C)c3)c2)cn1
InChIInChI=1S/C18H23N5/c1-4-23-13-17(10-21-23)14(2)19-9-15-6-5-7-16(8-15)18-11-20-22(3)12-18/h5-8,10-14,19H,4,9H2,1-3H3
InChIKeyFTHQSSVBPQEKKT-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.15
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine

1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 154751737) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine
PubChem CID154751737
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCn1cc(C(C)NCc2cccc(-c3cnn(C)c3)c2)cn1
InChIInChI=1S/C18H23N5/c1-4-23-13-17(10-21-23)14(2)19-9-15-6-5-7-16(8-15)18-11-20-22(3)12-18/h5-8,10-14,19H,4,9H2,1-3H3
InChIKeyFTHQSSVBPQEKKT-UHFFFAOYSA-N
XLogP3.15
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine (CID 154751737) is 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine is CCn1cc(C(C)NCc2cccc(-c3cnn(C)c3)c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is FTHQSSVBPQEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-4-23-13-17(10-21-23)14(2)19-9-15-6-5-7-16(8-15)18-11-20-22(3)12-18/h5-8,10-14,19H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine?
1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 309.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 154751737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).