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

C13H17ClN4 — CID 105175018

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccncc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-16-13(8-10-5-7-18(2)17-10)11-4-6-15-9-12(11)14/h4-7,9,13,16H,3,8H2,1-2H3
InChIKeyHTRVJKXAXYHILG-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.36
Rot. Bonds5

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

1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105175018) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105175018
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccncc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-16-13(8-10-5-7-18(2)17-10)11-4-6-15-9-12(11)14/h4-7,9,13,16H,3,8H2,1-2H3
InChIKeyHTRVJKXAXYHILG-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025628
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 103216054
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154934
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105175018) is 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is HTRVJKXAXYHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-16-13(8-10-5-7-18(2)17-10)11-4-6-15-9-12(11)14/h4-7,9,13,16H,3,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105175018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).