5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine

C11H13ClN4 — CID 146270395

IUPAC5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine
SMILESCCn1nccc1Nc1cc(C)c(Cl)cn1
InChIInChI=1S/C11H13ClN4/c1-3-16-11(4-5-14-16)15-10-6-8(2)9(12)7-13-10/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyGROITGKPCOCYEI-UHFFFAOYSA-N
MW236.71 g/mol
LogP3.00
Rot. Bonds3

About 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine

5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine (PubChem CID 146270395) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine
PubChem CID146270395
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine
SMILESCCn1nccc1Nc1cc(C)c(Cl)cn1
InChIInChI=1S/C11H13ClN4/c1-3-16-11(4-5-14-16)15-10-6-8(2)9(12)7-13-10/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyGROITGKPCOCYEI-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine (CID 146270395) is 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine is CCn1nccc1Nc1cc(C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine?
The InChIKey is GROITGKPCOCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-16-11(4-5-14-16)15-10-6-8(2)9(12)7-13-10/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine?
5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylpyrazol-3-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 146270395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).