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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 24963506
2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol
CID 166638798
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide
CID 100757837
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
(1R)-1-(1-methylimidazol-2-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 100706227
N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 113469689
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964

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).