2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C13H17ClN4 — CID 114877832

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C13H17ClN4/c1-8-4-5-16-7-10(8)11(15)6-12-13(14)9(2)17-18(12)3/h4-5,7,11H,6,15H2,1-3H3
InChIKeyANWKZDSHWGHBPT-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.33
Rot. Bonds3

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

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 114877832) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID114877832
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C13H17ClN4/c1-8-4-5-16-7-10(8)11(15)6-12-13(14)9(2)17-18(12)3/h4-5,7,11H,6,15H2,1-3H3
InChIKeyANWKZDSHWGHBPT-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878006
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127505
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine
CID 114104418
1-(2-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996816
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305018
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420924
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279877
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104996691
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104996806
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 114877832) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is ANWKZDSHWGHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-8-4-5-16-7-10(8)11(15)6-12-13(14)9(2)17-18(12)3/h4-5,7,11H,6,15H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 114877832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).