1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine

C19H21FN4 — CID 166289890

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine
SMILESCc1c(C(C)NCc2cccc(-c3ccc(F)cc3)n2)cnn1C
InChIInChI=1S/C19H21FN4/c1-13(18-12-22-24(3)14(18)2)21-11-17-5-4-6-19(23-17)15-7-9-16(20)10-8-15/h4-10,12-13,21H,11H2,1-3H3
InChIKeySGYITTAAYVOCBV-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.78
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 166289890) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine
PubChem CID166289890
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine
SMILESCc1c(C(C)NCc2cccc(-c3ccc(F)cc3)n2)cnn1C
InChIInChI=1S/C19H21FN4/c1-13(18-12-22-24(3)14(18)2)21-11-17-5-4-6-19(23-17)15-7-9-16(20)10-8-15/h4-10,12-13,21H,11H2,1-3H3
InChIKeySGYITTAAYVOCBV-UHFFFAOYSA-N
XLogP3.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine (CID 166289890) is 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine is Cc1c(C(C)NCc2cccc(-c3ccc(F)cc3)n2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is SGYITTAAYVOCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-13(18-12-22-24(3)14(18)2)21-11-17-5-4-6-19(23-17)15-7-9-16(20)10-8-15/h4-10,12-13,21H,11H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 324.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 166289890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).