1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine

C14H20N4 — CID 65197319

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCCc1ccncc1
InChIInChI=1S/C14H20N4/c1-11(14-10-18(3)17-12(14)2)16-9-6-13-4-7-15-8-5-13/h4-5,7-8,10-11,16H,6,9H2,1-3H3
InChIKeyVGYSTIMKKDXQDW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 65197319) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID65197319
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCCc1ccncc1
InChIInChI=1S/C14H20N4/c1-11(14-10-18(3)17-12(14)2)16-9-6-13-4-7-15-8-5-13/h4-5,7-8,10-11,16H,6,9H2,1-3H3
InChIKeyVGYSTIMKKDXQDW-UHFFFAOYSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 65191944
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895432

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 65197319) is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine is Cc1nn(C)cc1C(C)NCCc1ccncc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is VGYSTIMKKDXQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(14-10-18(3)17-12(14)2)16-9-6-13-4-7-15-8-5-13/h4-5,7-8,10-11,16H,6,9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 65197319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).