N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine

C13H17ClN4 — CID 55059648

IUPACN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C13H17ClN4/c1-4-15-8-11-6-5-7-12(16-11)18-10(3)13(14)9(2)17-18/h5-7,15H,4,8H2,1-3H3
InChIKeyDAVZRBZKQHMORR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.65
Rot. Bonds4

About N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine

N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 55059648) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID55059648
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C13H17ClN4/c1-4-15-8-11-6-5-7-12(16-11)18-10(3)13(14)9(2)17-18/h5-7,15H,4,8H2,1-3H3
InChIKeyDAVZRBZKQHMORR-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine (CID 55059648) is N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DAVZRBZKQHMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-4-15-8-11-6-5-7-12(16-11)18-10(3)13(14)9(2)17-18/h5-7,15H,4,8H2,1-3H3.
What are the key properties of N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55059648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).