4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine

C12H15ClN4 — CID 113470555

IUPAC4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1nn(C)c(Cl)c1CCc1ccnc(N)c1
InChIInChI=1S/C12H15ClN4/c1-8-10(12(13)17(2)16-8)4-3-9-5-6-15-11(14)7-9/h5-7H,3-4H2,1-2H3,(H2,14,15)
InChIKeyIWOZCLGXLJWHIL-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.14
Rot. Bonds3

About 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine

4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 113470555) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID113470555
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCc1nn(C)c(Cl)c1CCc1ccnc(N)c1
InChIInChI=1S/C12H15ClN4/c1-8-10(12(13)17(2)16-8)4-3-9-5-6-15-11(14)7-9/h5-7H,3-4H2,1-2H3,(H2,14,15)
InChIKeyIWOZCLGXLJWHIL-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine (CID 113470555) is 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine is Cc1nn(C)c(Cl)c1CCc1ccnc(N)c1.
What is the InChIKey of 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is IWOZCLGXLJWHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-10(12(13)17(2)16-8)4-3-9-5-6-15-11(14)7-9/h5-7H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine?
4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 250.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113470555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).