N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine

C16H23ClN4 — CID 103444850

IUPACN-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1CC)c1ncccc1Cl
InChIInChI=1S/C16H23ClN4/c1-4-8-18-15(16-14(17)7-6-9-19-16)11-13-10-12(3)20-21(13)5-2/h6-7,9-10,15,18H,4-5,8,11H2,1-3H3
InChIKeyZQCAUDVDVROBFR-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.54
Rot. Bonds7

About N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 103444850) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID103444850
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1CC)c1ncccc1Cl
InChIInChI=1S/C16H23ClN4/c1-4-8-18-15(16-14(17)7-6-9-19-16)11-13-10-12(3)20-21(13)5-2/h6-7,9-10,15,18H,4-5,8,11H2,1-3H3
InChIKeyZQCAUDVDVROBFR-UHFFFAOYSA-N
XLogP3.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[2-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethyl]propan-1-amine
CID 103444831
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002769
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 105002687
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105162407
1-(3-bromo-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113398309
N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
1-(2-ethyl-5-methylpyrazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 103444850) is N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1CC)c1ncccc1Cl.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is ZQCAUDVDVROBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-4-8-18-15(16-14(17)7-6-9-19-16)11-13-10-12(3)20-21(13)5-2/h6-7,9-10,15,18H,4-5,8,11H2,1-3H3.
What are the key properties of N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103444850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).