4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane

C16H22ClN3 — CID 166088354

IUPAC4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1cnc(-c2cnn(C3CC3)c2)cc1Cl
InChIInChI=1S/C14H16ClN3.C2H6/c1-9(2)12-7-16-14(5-13(12)15)10-6-17-18(8-10)11-3-4-11;1-2/h5-9,11H,3-4H2,1-2H3;1-2H3
InChIKeyOLFFGUBAGJZVOY-UHFFFAOYSA-N
MW291.83 g/mol
LogP5.08
Rot. Bonds3

About 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane

4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane (PubChem CID 166088354) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane
PubChem CID166088354
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1cnc(-c2cnn(C3CC3)c2)cc1Cl
InChIInChI=1S/C14H16ClN3.C2H6/c1-9(2)12-7-16-14(5-13(12)15)10-6-17-18(8-10)11-3-4-11;1-2/h5-9,11H,3-4H2,1-2H3;1-2H3
InChIKeyOLFFGUBAGJZVOY-UHFFFAOYSA-N
XLogP5.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.83
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane?
The IUPAC name of 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane (CID 166088354) is 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane.
What is the SMILES notation for 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane?
The canonical SMILES for 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane is CC.CC(C)c1cnc(-c2cnn(C3CC3)c2)cc1Cl.
What is the InChIKey of 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane?
The InChIKey is OLFFGUBAGJZVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3.C2H6/c1-9(2)12-7-16-14(5-13(12)15)10-6-17-18(8-10)11-3-4-11;1-2/h5-9,11H,3-4H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane?
4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane has a molecular weight of 291.83 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-cyclopropylpyrazol-4-yl)-5-propan-2-ylpyridine;ethane is sourced from PubChem (CID 166088354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).