2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine

C14H19ClN4O — CID 105159798

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cccnc2OC)c1Cl
InChIInChI=1S/C14H19ClN4O/c1-4-11-13(15)12(19(2)18-11)8-10(16)9-6-5-7-17-14(9)20-3/h5-7,10H,4,8,16H2,1-3H3
InChIKeyFEMBBBPOSATDQQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine (PubChem CID 105159798) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
PubChem CID105159798
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cccnc2OC)c1Cl
InChIInChI=1S/C14H19ClN4O/c1-4-11-13(15)12(19(2)18-11)8-10(16)9-6-5-7-17-14(9)20-3/h5-7,10H,4,8,16H2,1-3H3
InChIKeyFEMBBBPOSATDQQ-UHFFFAOYSA-N
XLogP2.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950787
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998494
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105135936
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114894574
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444619
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105154650
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348112

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine (CID 105159798) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine is CCc1nn(C)c(CC(N)c2cccnc2OC)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The InChIKey is FEMBBBPOSATDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-11-13(15)12(19(2)18-11)8-10(16)9-6-5-7-17-14(9)20-3/h5-7,10H,4,8,16H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine has a molecular weight of 294.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105159798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).