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

C13H17ClN4 — CID 105180396

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(N)Cc2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H17ClN4/c1-8-4-10(7-16-6-8)12(15)5-11-9(2)17-18(3)13(11)14/h4,6-7,12H,5,15H2,1-3H3
InChIKeyHMOUGJZEPWLUFU-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.33
Rot. Bonds3

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 105180396) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID105180396
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(N)Cc2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H17ClN4/c1-8-4-10(7-16-6-8)12(15)5-11-9(2)17-18(3)13(11)14/h4,6-7,12H,5,15H2,1-3H3
InChIKeyHMOUGJZEPWLUFU-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

1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 113470316
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105180369
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077
1-(4-bromo-2-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035188
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 113470221

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine (CID 105180396) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine is Cc1cncc(C(N)Cc2c(C)nn(C)c2Cl)c1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is HMOUGJZEPWLUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-8-4-10(7-16-6-8)12(15)5-11-9(2)17-18(3)13(11)14/h4,6-7,12H,5,15H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-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-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105180396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).